1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C12H19N3O2S — CID 110933364

IUPAC1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NC2CCCCC2O)s1
InChIInChI=1S/C12H19N3O2S/c1-8-13-6-9(18-8)7-14-12(17)15-10-4-2-3-5-11(10)16/h6,10-11,16H,2-5,7H2,1H3,(H2,14,15,17)
InChIKeyHEEADXFHWIZKRC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.55
Rot. Bonds3

About 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 110933364) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID110933364
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NC2CCCCC2O)s1
InChIInChI=1S/C12H19N3O2S/c1-8-13-6-9(18-8)7-14-12(17)15-10-4-2-3-5-11(10)16/h6,10-11,16H,2-5,7H2,1H3,(H2,14,15,17)
InChIKeyHEEADXFHWIZKRC-UHFFFAOYSA-N
XLogP1.55
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea 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

3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 39855016
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
1-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 132972224
N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282582
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119861838
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688301
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
CID 103917457
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 86841913
1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86856600
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
2,3-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 76992250

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 110933364) is 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)NC2CCCCC2O)s1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is HEEADXFHWIZKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-13-6-9(18-8)7-14-12(17)15-10-4-2-3-5-11(10)16/h6,10-11,16H,2-5,7H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 269.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 110933364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).