4,5-dichloro-1,2-thiazole-3-carboxamide

C4H2Cl2N2OS — CID 1207924

IUPAC4,5-dichloro-1,2-thiazole-3-carboxamide
SMILESNC(=O)c1nsc(Cl)c1Cl
InChIInChI=1S/C4H2Cl2N2OS/c5-1-2(4(7)9)8-10-3(1)6/h(H2,7,9)
InChIKeyIVSPEDPJSQZQOB-UHFFFAOYSA-N
MW197.05 g/mol
LogP1.55
Rot. Bonds1

About 4,5-dichloro-1,2-thiazole-3-carboxamide

4,5-dichloro-1,2-thiazole-3-carboxamide (PubChem CID 1207924) has the molecular formula C4H2Cl2N2OS and a molecular weight of 197.05 g/mol. Its IUPAC name is 4,5-dichloro-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1,2-thiazole-3-carboxamide
PubChem CID1207924
Molecular FormulaC4H2Cl2N2OS
Molecular Weight197.05 g/mol
Exact Mass195.93
IUPAC Name4,5-dichloro-1,2-thiazole-3-carboxamide
SMILESNC(=O)c1nsc(Cl)c1Cl
InChIInChI=1S/C4H2Cl2N2OS/c5-1-2(4(7)9)8-10-3(1)6/h(H2,7,9)
InChIKeyIVSPEDPJSQZQOB-UHFFFAOYSA-N
XLogP1.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.05
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbamoyl-4-chloro-1,2-thiazole-5-carboxylic acid
CID 174893815
5-chloro-1,2-thiazole-3,4-dicarbohydrazide
CID 174710009
sodium 4-[(4,5-dichloro-1,2-thiazole-3-carbonyl)amino]butanoate
CID 154722987
N-[2-[3-(2-carbamoylpyridin-1-ium-4-yl)oxyphenyl]ethyl]-4,5-dichloro-1,2-thiazole-3-carboxamide
CID 143640223
ethyl 3-[(4,5-dichloro-1,2-thiazole-3-carbonyl)amino]benzoate
CID 138377042
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220362
[(2S)-1-(2-methylbutan-2-ylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409338
[(2R)-1-(2-methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409327
[(2S)-1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409282
3,5-dichloro-1,2-thiazole-4-carbonyl chloride
CID 54106162
[(2S)-1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409280
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-1,2-thiazole-3-carboxamide (CID 1207924) is 4,5-dichloro-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-1,2-thiazole-3-carboxamide is NC(=O)c1nsc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1,2-thiazole-3-carboxamide?
The InChIKey is IVSPEDPJSQZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N2OS/c5-1-2(4(7)9)8-10-3(1)6/h(H2,7,9).
What are the key properties of 4,5-dichloro-1,2-thiazole-3-carboxamide?
4,5-dichloro-1,2-thiazole-3-carboxamide has a molecular weight of 197.05 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 1207924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).