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

C17H15N3O2S2 — CID 55637744

IUPACN-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C17H15N3O2S2/c1-20(10-15(21)18-12-6-3-2-4-7-12)17(22)13-11-24-16(19-13)14-8-5-9-23-14/h2-9,11H,10H2,1H3,(H,18,21)
InChIKeyWKKMMFWHXFQDKM-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.58
Rot. Bonds5

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

N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55637744) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID55637744
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C17H15N3O2S2/c1-20(10-15(21)18-12-6-3-2-4-7-12)17(22)13-11-24-16(19-13)14-8-5-9-23-14/h2-9,11H,10H2,1H3,(H,18,21)
InChIKeyWKKMMFWHXFQDKM-UHFFFAOYSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27793502
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9089274
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27787175
(1-anilino-1-oxopropan-2-yl) 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 55402825
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 86907310
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134046643
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27773173
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305505
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-ethylphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17460948

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 55637744) is N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WKKMMFWHXFQDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-20(10-15(21)18-12-6-3-2-4-7-12)17(22)13-11-24-16(19-13)14-8-5-9-23-14/h2-9,11H,10H2,1H3,(H,18,21).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55637744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).