2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide

C16H23N3O2S — CID 51097058

IUPAC2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C2CCC(C)CC2)C2CC2)cs1
InChIInChI=1S/C16H23N3O2S/c1-10-3-5-12(6-4-10)19(13-7-8-13)15(21)14-9-22-16(18-14)17-11(2)20/h9-10,12-13H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyLKMVGOQZHSYELP-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.28
Rot. Bonds4

About 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide

2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 51097058) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID51097058
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C2CCC(C)CC2)C2CC2)cs1
InChIInChI=1S/C16H23N3O2S/c1-10-3-5-12(6-4-10)19(13-7-8-13)15(21)14-9-22-16(18-14)17-11(2)20/h9-10,12-13H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyLKMVGOQZHSYELP-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 94164490
2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102866785
2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79290954
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 106671767
ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate
CID 61012652
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370
2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 103798441
2-[(2-acetamido-1,3-thiazole-4-carbonyl)-(2-amino-2-oxoethyl)amino]acetic acid
CID 107434591
(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 66264126
1,1-dicyclohexyl-3-[4-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-1,3-thiazol-2-yl]urea
CID 86611181
N-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 60694759

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 51097058) is 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)N(C2CCC(C)CC2)C2CC2)cs1.
What is the InChIKey of 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LKMVGOQZHSYELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-3-5-12(6-4-10)19(13-7-8-13)15(21)14-9-22-16(18-14)17-11(2)20/h9-10,12-13H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51097058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).