3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea

C16H24BrN3OS — CID 11176632

IUPAC3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
SMILESO=C(Nc1ncc(Br)s1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H24BrN3OS/c17-14-11-18-15(22-14)19-16(21)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2,(H,18,19,21)
InChIKeySTHOWZJDOMOQTM-UHFFFAOYSA-N
MW386.36 g/mol
LogP5.40
Rot. Bonds3

About 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea

3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea (PubChem CID 11176632) has the molecular formula C16H24BrN3OS and a molecular weight of 386.36 g/mol. Its IUPAC name is 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea.

Molecular Properties

Compound Name3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
PubChem CID11176632
Molecular FormulaC16H24BrN3OS
Molecular Weight386.36 g/mol
Exact Mass385.08
IUPAC Name3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
SMILESO=C(Nc1ncc(Br)s1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H24BrN3OS/c17-14-11-18-15(22-14)19-16(21)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2,(H,18,19,21)
InChIKeySTHOWZJDOMOQTM-UHFFFAOYSA-N
XLogP5.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.36
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea 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

2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-cyclopentylamino]acetic acid
CID 61205623
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea
CID 11772353
4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 87412592
1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea
CID 141119422
2-[[cyclohexyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazole-5-sulfonic acid
CID 87416992
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
CID 118104957
3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
CID 141119437
1,1-dicyclohexyl-3-(5-pentylsulfanyl-1,3-thiazol-2-yl)urea
CID 87192872
3-[5-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
CID 87417769
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea
CID 87186057
ethyl 3-[[2-[[cyclobutyl(cycloheptyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoate
CID 87185806

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea?
The IUPAC name of 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea (CID 11176632) is 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea.
What is the SMILES notation for 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea?
The canonical SMILES for 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea is O=C(Nc1ncc(Br)s1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea?
The InChIKey is STHOWZJDOMOQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3OS/c17-14-11-18-15(22-14)19-16(21)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2,(H,18,19,21).
What are the key properties of 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea?
3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea has a molecular weight of 386.36 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea is sourced from PubChem (CID 11176632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).