2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide

C12H17N3O2S — CID 53158467

IUPAC2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1csc(C(=O)NC2CC2)n1
InChIInChI=1S/C12H17N3O2S/c1-7(2)5-13-10(16)9-6-18-12(15-9)11(17)14-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyZKKWARQHCFYBDX-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.42
Rot. Bonds5

About 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide

2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide (PubChem CID 53158467) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
PubChem CID53158467
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
SMILESCC(C)CNC(=O)c1csc(C(=O)NC2CC2)n1
InChIInChI=1S/C12H17N3O2S/c1-7(2)5-13-10(16)9-6-18-12(15-9)11(17)14-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyZKKWARQHCFYBDX-UHFFFAOYSA-N
XLogP1.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158448
2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158485
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158373
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158336
2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099206
2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697408
ethyl 4-[(4-ethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697832
4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 104892941
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119477267
2-[3-(cyclopropylamino)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696775
2-[[cyclobutanecarbonyl(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 1195959

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide (CID 53158467) is 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide is CC(C)CNC(=O)c1csc(C(=O)NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is ZKKWARQHCFYBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7(2)5-13-10(16)9-6-18-12(15-9)11(17)14-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide?
2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 53158467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).