Chemical Components in the PDB

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V0O : Summary

Code

V0O

One-letter code

X

Molecule name

ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate

Systematic names

ProgramVersionName
ACDLabs 12.01 ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate
OpenEye OEToolkits 2.0.7 ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate

Formula

C9 H12 N2 O2 S

Formal charge

0

Molecular weight

212.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OCC)c1csc(NC2CC2)n1
SMILES CACTVS 3.385 CCOC(=O)c1csc(NC2CC2)n1
SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)c1csc(n1)NC2CC2
Canonical SMILES CACTVS 3.385 CCOC(=O)c1csc(NC2CC2)n1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)c1csc(n1)NC2CC2

IUPAC InChI

InChI=1S/C9H12N2O2S/c1-2-13-8(12)7-5-14-9(11-7)10-6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)

IUPAC InChI key

WRPOUBFNFBYEOF-UHFFFAOYSA-N
V0O

wwPDB Information

Atom count

26 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-29

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned