4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide

C7H6Cl2N2OS — CID 130653904

IUPAC4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1nc(Cl)cs1
InChIInChI=1S/C7H6Cl2N2OS/c1-4(8)2-10-6(12)7-11-5(9)3-13-7/h3H,1-2H2,(H,10,12)
InChIKeyGBWDBWKBJXWNBB-UHFFFAOYSA-N
MW237.11 g/mol
LogP2.28
Rot. Bonds3

About 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide

4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide (PubChem CID 130653904) has the molecular formula C7H6Cl2N2OS and a molecular weight of 237.11 g/mol. Its IUPAC name is 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
PubChem CID130653904
Molecular FormulaC7H6Cl2N2OS
Molecular Weight237.11 g/mol
Exact Mass235.96
IUPAC Name4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1nc(Cl)cs1
InChIInChI=1S/C7H6Cl2N2OS/c1-4(8)2-10-6(12)7-11-5(9)3-13-7/h3H,1-2H2,(H,10,12)
InChIKeyGBWDBWKBJXWNBB-UHFFFAOYSA-N
XLogP2.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide
CID 127012027
4-chloro-N-propan-2-yl-1,3-thiazole-2-carboxamide;ethane
CID 177229937
N-(2-aminoethyl)-4-chloro-1,3-thiazole-2-carboxamide
CID 119083095
N-but-3-ynyl-4-chloro-1,3-thiazole-2-carboxamide
CID 130610639
N-but-2-ynyl-4-chloro-1,3-thiazole-2-carboxamide
CID 130627868
N-(2-bromoprop-2-enyl)-4-chloro-1,3-thiazole-2-carboxamide
CID 130636882
4-chloro-N-[(1S)-1-cyanoethyl]-1,3-thiazole-2-carboxamide
CID 130652284
N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
CID 130653890
4-chloro-N-(2-methylprop-2-enyl)-1,3-thiazole-2-carboxamide
CID 130669827
4-chloro-N-[(1R)-1-cyanoethyl]-1,3-thiazole-2-carboxamide
CID 130683894
4-chloro-N-prop-2-ynyl-1,3-thiazole-2-carboxamide
CID 130725413
N-(2-chloroprop-2-enyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 130978241

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide (CID 130653904) is 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide is C=C(Cl)CNC(=O)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide?
The InChIKey is GBWDBWKBJXWNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2OS/c1-4(8)2-10-6(12)7-11-5(9)3-13-7/h3H,1-2H2,(H,10,12).
What are the key properties of 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide?
4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide has a molecular weight of 237.11 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130653904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).