4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one

C10H16N2O2S — CID 106381032

IUPAC4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCC2O)cs1
InChIInChI=1S/C10H16N2O2S/c13-9-4-2-1-3-8(9)11-5-7-6-15-10(14)12-7/h6,8-9,11,13H,1-5H2,(H,12,14)
InChIKeyWGAARZODKIRGBW-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.83
Rot. Bonds3

About 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381032) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381032
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCC2O)cs1
InChIInChI=1S/C10H16N2O2S/c13-9-4-2-1-3-8(9)11-5-7-6-15-10(14)12-7/h6,8-9,11,13H,1-5H2,(H,12,14)
InChIKeyWGAARZODKIRGBW-UHFFFAOYSA-N
XLogP0.83
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxycyclohexyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 62359032
N-(2-hydroxycyclohexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 62359953
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104927471
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 104927843
N-[(1S,2S)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104956946
4-[[(2-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379723
4-[[(4-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380218
4-[[(4-methoxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380520
4-[(6-hydroxyhexylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380655
4-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380783
4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380813
4-[[(2-hydroxycycloheptyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380845

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106381032) is 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCCCC2O)cs1.
What is the InChIKey of 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WGAARZODKIRGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c13-9-4-2-1-3-8(9)11-5-7-6-15-10(14)12-7/h6,8-9,11,13H,1-5H2,(H,12,14).
What are the key properties of 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxycyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).