N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide

C15H10ClN3O2S2 — CID 60584375

IUPACN-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C15H10ClN3O2S2/c16-12-6-5-11(23-12)15-19-10(7-22-15)14(21)18-9-4-2-1-3-8(9)13(17)20/h1-7H,(H2,17,20)(H,18,21)
InChIKeyZAIWANFPMNOCQX-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.88
Rot. Bonds4

About N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide

N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 60584375) has the molecular formula C15H10ClN3O2S2 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID60584375
Molecular FormulaC15H10ClN3O2S2
Molecular Weight363.85 g/mol
Exact Mass362.99
IUPAC NameN-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C15H10ClN3O2S2/c16-12-6-5-11(23-12)15-19-10(7-22-15)14(21)18-9-4-2-1-3-8(9)13(17)20/h1-7H,(H2,17,20)(H,18,21)
InChIKeyZAIWANFPMNOCQX-UHFFFAOYSA-N
XLogP3.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47391969
2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 110904430
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119408363
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60529832
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119223531
2-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119389747
N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142324
4-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119203967
ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate
CID 60584119

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide (CID 60584375) is N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide is NC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZAIWANFPMNOCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2S2/c16-12-6-5-11(23-12)15-19-10(7-22-15)14(21)18-9-4-2-1-3-8(9)13(17)20/h1-7H,(H2,17,20)(H,18,21).
What are the key properties of N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide?
N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60584375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).