N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C14H22N2O2S — CID 27163548

IUPACN-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H22N2O2S/c1-10-3-5-12(6-4-10)15-13(17)7-8-16-11(2)9-19-14(16)18/h9-10,12H,3-8H2,1-2H3,(H,15,17)
InChIKeyBGJASNVLJWUELF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.30
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 27163548) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID27163548
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H22N2O2S/c1-10-3-5-12(6-4-10)15-13(17)7-8-16-11(2)9-19-14(16)18/h9-10,12H,3-8H2,1-2H3,(H,15,17)
InChIKeyBGJASNVLJWUELF-UHFFFAOYSA-N
XLogP2.30
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 27163548) is N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NC1CCC(C)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is BGJASNVLJWUELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-3-5-12(6-4-10)15-13(17)7-8-16-11(2)9-19-14(16)18/h9-10,12H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 27163548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).