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

C13H16N2OS2 — CID 134058808

IUPACN-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)CN(C)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C13H16N2OS2/c1-9(2)7-15(3)13(16)10-8-18-12(14-10)11-5-4-6-17-11/h4-6,8-9H,7H2,1-3H3
InChIKeyXGWPRMWVRLLTDU-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.60
Rot. Bonds4

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

N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 134058808) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID134058808
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC NameN-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)CN(C)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C13H16N2OS2/c1-9(2)7-15(3)13(16)10-8-18-12(14-10)11-5-4-6-17-11/h4-6,8-9H,7H2,1-3H3
InChIKeyXGWPRMWVRLLTDU-UHFFFAOYSA-N
XLogP3.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134046643
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70716880
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27793502
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70710732
N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96579417
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8977145
1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539913
N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119444395
(2S)-4-methyl-2-[[2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695454

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 134058808) is N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CC(C)CN(C)C(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XGWPRMWVRLLTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-9(2)7-15(3)13(16)10-8-18-12(14-10)11-5-4-6-17-11/h4-6,8-9H,7H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134058808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).