N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C18H17N3O3S2 — CID 27793502

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-21(10-16(22)19-12-5-7-13(24-2)8-6-12)18(23)14-11-26-17(20-14)15-4-3-9-25-15/h3-9,11H,10H2,1-2H3,(H,19,22)
InChIKeyKXUQUKITYYZQGS-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.59
Rot. Bonds6

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

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 27793502) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID27793502
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-21(10-16(22)19-12-5-7-13(24-2)8-6-12)18(23)14-11-26-17(20-14)15-4-3-9-25-15/h3-9,11H,10H2,1-2H3,(H,19,22)
InChIKeyKXUQUKITYYZQGS-UHFFFAOYSA-N
XLogP3.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27787175
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
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
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42882464
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-(3,5-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 9441109
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-(6-methoxy-3-pyridinyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197968
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24513683

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 27793502) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2csc(-c3cccs3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KXUQUKITYYZQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-21(10-16(22)19-12-5-7-13(24-2)8-6-12)18(23)14-11-26-17(20-14)15-4-3-9-25-15/h3-9,11H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27793502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).