N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

C16H12ClN3O2S2 — CID 71852717

IUPACN-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(C(N)=O)cc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12ClN3O2S2/c1-8-11(6-13(24-8)14(18)21)19-15(22)12-7-23-16(20-12)9-2-4-10(17)5-3-9/h2-7H,1H3,(H2,18,21)(H,19,22)
InChIKeyYIIISUYEOOZYCR-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.18
Rot. Bonds4

About N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71852717) has the molecular formula C16H12ClN3O2S2 and a molecular weight of 377.88 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID71852717
Molecular FormulaC16H12ClN3O2S2
Molecular Weight377.88 g/mol
Exact Mass377.01
IUPAC NameN-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(C(N)=O)cc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12ClN3O2S2/c1-8-11(6-13(24-8)14(18)21)19-15(22)12-7-23-16(20-12)9-2-4-10(17)5-3-9/h2-7H,1H3,(H2,18,21)(H,19,22)
InChIKeyYIIISUYEOOZYCR-UHFFFAOYSA-N
XLogP4.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-carbamoyl-3-chlorophenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 99812136
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
N-(2-carbamoylphenyl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9399310
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 71852717) is N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is Cc1sc(C(N)=O)cc1NC(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YIIISUYEOOZYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S2/c1-8-11(6-13(24-8)14(18)21)19-15(22)12-7-23-16(20-12)9-2-4-10(17)5-3-9/h2-7H,1H3,(H2,18,21)(H,19,22).
What are the key properties of N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methylthiophen-3-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71852717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).