2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide

C13H13N3O3S2 — CID 78828249

IUPAC2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ncc(C(N)=O)s2)s1
InChIInChI=1S/C13H13N3O3S2/c1-7-2-4-9(20-7)8(17)3-5-11(18)16-13-15-6-10(21-13)12(14)19/h2,4,6H,3,5H2,1H3,(H2,14,19)(H,15,16,18)
InChIKeyQTYNXOIHKOLYMD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.21
Rot. Bonds6

About 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide

2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78828249) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78828249
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ncc(C(N)=O)s2)s1
InChIInChI=1S/C13H13N3O3S2/c1-7-2-4-9(20-7)8(17)3-5-11(18)16-13-15-6-10(21-13)12(14)19/h2,4,6H,3,5H2,1H3,(H2,14,19)(H,15,16,18)
InChIKeyQTYNXOIHKOLYMD-UHFFFAOYSA-N
XLogP2.21
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106816
N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 35032439
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
ethyl 4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]benzoate
CID 30270993
2-[3-(2,3-dichlorophenyl)propanoylamino]-1,3-thiazole-5-carboxamide
CID 43078049
4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide
CID 78802755
2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxamide
CID 78828524
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55601562
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxamide
CID 78828454
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 25276476

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide (CID 78828249) is 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide is Cc1ccc(C(=O)CCC(=O)Nc2ncc(C(N)=O)s2)s1.
What is the InChIKey of 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is QTYNXOIHKOLYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c1-7-2-4-9(20-7)8(17)3-5-11(18)16-13-15-6-10(21-13)12(14)19/h2,4,6H,3,5H2,1H3,(H2,14,19)(H,15,16,18).
What are the key properties of 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide?
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78828249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).