2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide

C16H17ClN2O3S2 — CID 51205742

IUPAC2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C16H17ClN2O3S2/c1-10-13(14(20)19-16(2)6-7-24(21,22)9-16)23-15(18-10)11-4-3-5-12(17)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyACZDWXSYPUDILM-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.08
Rot. Bonds3

About 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 51205742) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID51205742
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C16H17ClN2O3S2/c1-10-13(14(20)19-16(2)6-7-24(21,22)9-16)23-15(18-10)11-4-3-5-12(17)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyACZDWXSYPUDILM-UHFFFAOYSA-N
XLogP3.08
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
CID 47006606
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24673326
2-(3-chlorophenyl)-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599394
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666433
2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 24679423
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55460695
2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192536
2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24646825
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9193279
2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide
CID 154864711

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide (CID 51205742) is 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ACZDWXSYPUDILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-10-13(14(20)19-16(2)6-7-24(21,22)9-16)23-15(18-10)11-4-3-5-12(17)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51205742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).