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

C16H17ClN2O3S2 — CID 24679423

IUPAC2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H17ClN2O3S2/c1-10-14(16(20)19(2)13-6-7-24(21,22)9-13)23-15(18-10)11-4-3-5-12(17)8-11/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyNFCZVKKPUSUODB-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.03
Rot. Bonds3

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

2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 24679423) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID24679423
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H17ClN2O3S2/c1-10-14(16(20)19(2)13-6-7-24(21,22)9-13)23-15(18-10)11-4-3-5-12(17)8-11/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyNFCZVKKPUSUODB-UHFFFAOYSA-N
XLogP3.03
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110371797
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
2-(3-chlorophenyl)-N,4-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 97259892
2-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55439249
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855413
N-butyl-2-(3-chlorophenyl)-N-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 134015239
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 32889545
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
3-amino-2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 112575061
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
CID 6599870
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62179492

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 24679423) is 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is NFCZVKKPUSUODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c1-10-14(16(20)19(2)13-6-7-24(21,22)9-13)23-15(18-10)11-4-3-5-12(17)8-11/h3-5,8,13H,6-7,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24679423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).