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

C14H22N2O3S — CID 115701380

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-11-8-20-13(19)16(11)7-12(18)15-9-14(10-17)5-3-2-4-6-14/h8,17H,2-7,9-10H2,1H3,(H,15,18)
InChIKeyZPVBCUVAUKQMMA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds5

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

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 115701380) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID115701380
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-11-8-20-13(19)16(11)7-12(18)15-9-14(10-17)5-3-2-4-6-14/h8,17H,2-7,9-10H2,1H3,(H,15,18)
InChIKeyZPVBCUVAUKQMMA-UHFFFAOYSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 62520588
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 62527031
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 62527885
N-[(1-hydroxycyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64869145
N-[(2-hydroxycyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64929084
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65119225
N-[(2-hydroxycyclopentyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65835228
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65902971
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65925031
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 72124693
N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 96098712
N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 96098713

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 115701380) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is ZPVBCUVAUKQMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-8-20-13(19)16(11)7-12(18)15-9-14(10-17)5-3-2-4-6-14/h8,17H,2-7,9-10H2,1H3,(H,15,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[[1-(hydroxymethyl)cyclohexyl]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, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 115701380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).