3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C13H21N3OS — CID 115619023

IUPAC3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3OS/c1-10-12(18-9-14-10)8-16(2)13(17)15-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3,(H,15,17)
InChIKeyXZFAUKRQNZQFBC-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.93
Rot. Bonds3

About 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 115619023) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID115619023
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3OS/c1-10-12(18-9-14-10)8-16(2)13(17)15-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3,(H,15,17)
InChIKeyXZFAUKRQNZQFBC-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-1-methyl-1-[(4-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-cyclohexyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 78799786
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
CID 23797383
3-cyclopropyl-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 47127701
4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]-4-oxobut-2-enoic acid
CID 77009501
3-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoic acid
CID 55260194
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide
CID 116656098
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63823278
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide
CID 63836900

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 115619023) is 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CN(C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is XZFAUKRQNZQFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-12(18-9-14-10)8-16(2)13(17)15-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 267.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 115619023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).