N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C14H22N2O3S — CID 65119628

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H22N2O3S/c1-10-3-5-14(19,6-4-10)9-15-12(17)7-16-11(2)8-20-13(16)18/h8,10,19H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyRPZWJJMRQYSQFV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds4

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 65119628) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID65119628
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C14H22N2O3S/c1-10-3-5-14(19,6-4-10)9-15-12(17)7-16-11(2)8-20-13(16)18/h8,10,19H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyRPZWJJMRQYSQFV-UHFFFAOYSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 65119628) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC1(O)CCC(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is RPZWJJMRQYSQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-3-5-14(19,6-4-10)9-15-12(17)7-16-11(2)8-20-13(16)18/h8,10,19H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 65119628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).