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

C15H24N2O3S — CID 65119225

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-11-9-21-13(19)17(11)8-12(18)16-10-15(20)6-4-14(2,3)5-7-15/h9,20H,4-8,10H2,1-3H3,(H,16,18)
InChIKeyYNSTWLFXMCDQQP-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.67
Rot. Bonds4

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

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 65119225) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID65119225
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H24N2O3S/c1-11-9-21-13(19)17(11)8-12(18)16-10-15(20)6-4-14(2,3)5-7-15/h9,20H,4-8,10H2,1-3H3,(H,16,18)
InChIKeyYNSTWLFXMCDQQP-UHFFFAOYSA-N
XLogP1.67
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 65119225) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is YNSTWLFXMCDQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-9-21-13(19)17(11)8-12(18)16-10-15(20)6-4-14(2,3)5-7-15/h9,20H,4-8,10H2,1-3H3,(H,16,18).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 65119225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).