3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea

C24H34N4OS — CID 141119437

IUPAC3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
SMILESO=C(Nc1ncc(CNCc2ccccc2)s1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H34N4OS/c29-24(28(20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-23-26-18-22(30-23)17-25-16-19-10-4-1-5-11-19/h1,4-5,10-11,18,20-21,25H,2-3,6-9,12-17H2,(H,26,27,29)
InChIKeyZQAQPCIOJNVISR-UHFFFAOYSA-N
MW426.63 g/mol
LogP5.93
Rot. Bonds7

About 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea

3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea (PubChem CID 141119437) has the molecular formula C24H34N4OS and a molecular weight of 426.63 g/mol. Its IUPAC name is 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea.

Molecular Properties

Compound Name3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
PubChem CID141119437
Molecular FormulaC24H34N4OS
Molecular Weight426.63 g/mol
Exact Mass426.25
IUPAC Name3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
SMILESO=C(Nc1ncc(CNCc2ccccc2)s1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H34N4OS/c29-24(28(20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-23-26-18-22(30-23)17-25-16-19-10-4-1-5-11-19/h1,4-5,10-11,18,20-21,25H,2-3,6-9,12-17H2,(H,26,27,29)
InChIKeyZQAQPCIOJNVISR-UHFFFAOYSA-N
XLogP5.93
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(benzylamino)methyl]-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

3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11176632
3-[5-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
CID 87417769
tert-butyl 4-[2-(dicyclohexylcarbamoylamino)-1,3-thiazol-5-yl]butanoate
CID 58183155
4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 87412592
3-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 99822561
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclopentyl-1-(thian-4-yl)urea
CID 11772353
1-cyclopentyl-1-(4-methylcyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea
CID 141119422
(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 9171281
2-[[cyclohexyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazole-5-sulfonic acid
CID 87416992
1,1-dicyclohexyl-3-(5-pentylsulfanyl-1,3-thiazol-2-yl)urea
CID 87192872
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(oxolan-2-yl)urea
CID 87186057
2-[[2-[[cyclohexyl(4-phenylbutyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid
CID 143719893

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea?
The IUPAC name of 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea (CID 141119437) is 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea.
What is the SMILES notation for 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea?
The canonical SMILES for 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea is O=C(Nc1ncc(CNCc2ccccc2)s1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea?
The InChIKey is ZQAQPCIOJNVISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4OS/c29-24(28(20-12-6-2-7-13-20)21-14-8-3-9-15-21)27-23-26-18-22(30-23)17-25-16-19-10-4-1-5-11-19/h1,4-5,10-11,18,20-21,25H,2-3,6-9,12-17H2,(H,26,27,29).
What are the key properties of 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea?
3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea has a molecular weight of 426.63 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(benzylamino)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea is sourced from PubChem (CID 141119437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).