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

C13H14N2O3S3 — CID 42920002

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2cccs2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H14N2O3S3/c1-15(9-4-6-21(17,18)8-9)13(16)10-7-20-12(14-10)11-3-2-5-19-11/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyLXLQEITVJZFUHL-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.13
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 42920002) has the molecular formula C13H14N2O3S3 and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID42920002
Molecular FormulaC13H14N2O3S3
Molecular Weight342.47 g/mol
Exact Mass342.02
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2cccs2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H14N2O3S3/c1-15(9-4-6-21(17,18)8-9)13(16)10-7-20-12(14-10)11-3-2-5-19-11/h2-3,5,7,9H,4,6,8H2,1H3
InChIKeyLXLQEITVJZFUHL-UHFFFAOYSA-N
XLogP2.13
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}propanamide
CID 2738814
N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 1473850
US9216962, Cfh325-B
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[4-(4-Fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
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1-[4-(2-Oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 40055711
N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 40163347
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,1-dioxo-N-(thiophen-2-ylmethyl)thiolan-3-amine
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N-cyclohexyl-N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
CID 45891979
N-methyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
CID 47206827
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
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N-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 42920002) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(-c2cccs2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LXLQEITVJZFUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S3/c1-15(9-4-6-21(17,18)8-9)13(16)10-7-20-12(14-10)11-3-2-5-19-11/h2-3,5,7,9H,4,6,8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42920002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).