2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide

C13H19N3O2S — CID 94164490

IUPAC2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N[C@H]2CCCC[C@H]2C)cs1
InChIInChI=1S/C13H19N3O2S/c1-8-5-3-4-6-10(8)15-12(18)11-7-19-13(16-11)14-9(2)17/h7-8,10H,3-6H2,1-2H3,(H,15,18)(H,14,16,17)/t8-,10+/m1/s1
InChIKeyAFGDQZYAURNHPA-SCZZXKLOSA-N
MW281.38 g/mol
LogP2.41
Rot. Bonds3

About 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 94164490) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID94164490
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N[C@H]2CCCC[C@H]2C)cs1
InChIInChI=1S/C13H19N3O2S/c1-8-5-3-4-6-10(8)15-12(18)11-7-19-13(16-11)14-9(2)17/h7-8,10H,3-6H2,1-2H3,(H,15,18)(H,14,16,17)/t8-,10+/m1/s1
InChIKeyAFGDQZYAURNHPA-SCZZXKLOSA-N
XLogP2.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 51351273
2-acetamido-N-[2-(2-methylcyclohexyl)oxyethyl]-1,3-thiazole-4-carboxamide
CID 45824131
2-(cyclopropylamino)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
CID 49656855
N-cyclopropyl-2-(isopentylamino)thiazole-4-carboxamide
CID 51044390
2-(cyclopropylamino)-N-isopentylthiazole-4-carboxamide
CID 52898270
2-(cyclopropylamino)-N-[4-(diethylamino)-4-oxobutyl]-1,3-thiazole-4-carboxamide
CID 75429924
2-(6-aminohexanoylamino)-N-[3-(dimethylamino)propyl]thiazole-4-carboxamide
CID 482919
N-methyl-2-propionamidothiazole-4-carboxamide
CID 16915486
2-(4-methylpiperazin-1-yl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 53014664
N~4~-cyclopentyl-2-(4-methylpiperazino)-1,3-thiazole-4-carboxamide
CID 53014666
N-Cyclohexyl-2-(pyrrolidin-1-YL)-1,3-thiazole-4-carboxamide
CID 53015899
2-acetamido-N-propyl-1,3-thiazole-4-carboxamide
CID 16915932

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide (CID 94164490) is 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)N[C@H]2CCCC[C@H]2C)cs1.
What is the InChIKey of 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AFGDQZYAURNHPA-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-5-3-4-6-10(8)15-12(18)11-7-19-13(16-11)14-9(2)17/h7-8,10H,3-6H2,1-2H3,(H,15,18)(H,14,16,17)/t8-,10+/m1/s1.
What are the key properties of 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 94164490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).