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6HW : Summary

Code

6HW

One-letter code

X

Molecule name

N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine
OpenEye OEToolkits 2.0.4 ~{N}-[4-methyl-3-(2-methylphenyl)phenyl]-1,3-thiazol-2-amine

Formula

C17 H16 N2 S

Formal charge

0

Molecular weight

280.387 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cc1ccccc1c2c(ccc(c2)Nc3nccs3)C
SMILES CACTVS 3.385 Cc1ccccc1c2cc(Nc3sccn3)ccc2C
SMILES OpenEye OEToolkits 2.0.4 Cc1ccccc1c2cc(ccc2C)Nc3nccs3
Canonical SMILES CACTVS 3.385 Cc1ccccc1c2cc(Nc3sccn3)ccc2C
Canonical SMILES OpenEye OEToolkits 2.0.4 Cc1ccccc1c2cc(ccc2C)Nc3nccs3

IUPAC InChI

InChI=1S/C17H16N2S/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)19-17-18-9-10-20-17/h3-11H,1-2H3,(H,18,19)

IUPAC InChI key

OZBQQKIXAODXQL-UHFFFAOYSA-N
6HW

wwPDB Information

Atom count

36 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-04-12

Last modified at

2016-05-20

Status

Released

Obsoleted

Not Assigned