1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone

C13H20N2OS — CID 79375328

IUPAC1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC1CCC(C)CC1
InChIInChI=1S/C13H20N2OS/c1-8-4-6-11(7-5-8)14-13-12(10(3)16)9(2)15-17-13/h8,11,14H,4-7H2,1-3H3
InChIKeyNAVRHLGZBCJHKD-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.64
Rot. Bonds3

About 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone (PubChem CID 79375328) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
PubChem CID79375328
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC1CCC(C)CC1
InChIInChI=1S/C13H20N2OS/c1-8-4-6-11(7-5-8)14-13-12(10(3)16)9(2)15-17-13/h8,11,14H,4-7H2,1-3H3
InChIKeyNAVRHLGZBCJHKD-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-N,3-dimethyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 37936459
1-[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]ethan-1-one
CID 79007041
3-methyl-5-(methylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide
CID 25630648
3-methyl-5-(methylamino)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide
CID 25630653
3-methyl-5-(methylamino)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide
CID 25630657
3-methyl-5-(methylamino)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide
CID 25630659
3-methyl-5-(methylamino)-N-[3-(trifluoromethyl)cyclohexyl]-1,2-thiazole-4-carboxamide
CID 42944897
1-[3-Methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazol-4-yl]ethanone
CID 79363509
1-[3-Methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone
CID 79376266
1-[3-Methyl-5-(2,2,3,3-tetrafluoropropylamino)-1,2-thiazol-4-yl]ethanone
CID 106295438
1-[3-Methyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazol-4-yl]ethanone
CID 113328199
1-[3-Methyl-5-(5,5,5-trifluoropentylamino)-1,2-thiazol-4-yl]ethanone
CID 113328200

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone (CID 79375328) is 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NC1CCC(C)CC1.
What is the InChIKey of 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone?
The InChIKey is NAVRHLGZBCJHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-4-6-11(7-5-8)14-13-12(10(3)16)9(2)15-17-13/h8,11,14H,4-7H2,1-3H3.
What are the key properties of 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79375328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).