1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea

C18H30N4O3S2 — CID 87418666

IUPAC1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
SMILESCNS(=O)(=O)c1cnc(NC(=O)N(C2CCCCC2)C2(C)CCCCC2)s1
InChIInChI=1S/C18H30N4O3S2/c1-18(11-7-4-8-12-18)22(14-9-5-3-6-10-14)17(23)21-16-20-13-15(26-16)27(24,25)19-2/h13-14,19H,3-12H2,1-2H3,(H,20,21,23)
InChIKeyQYORLDFHPNDFGJ-UHFFFAOYSA-N
MW414.60 g/mol
LogP3.94
Rot. Bonds5

About 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea

1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea (PubChem CID 87418666) has the molecular formula C18H30N4O3S2 and a molecular weight of 414.60 g/mol. Its IUPAC name is 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
PubChem CID87418666
Molecular FormulaC18H30N4O3S2
Molecular Weight414.60 g/mol
Exact Mass414.18
IUPAC Name1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
SMILESCNS(=O)(=O)c1cnc(NC(=O)N(C2CCCCC2)C2(C)CCCCC2)s1
InChIInChI=1S/C18H30N4O3S2/c1-18(11-7-4-8-12-18)22(14-9-5-3-6-10-14)17(23)21-16-20-13-15(26-16)27(24,25)19-2/h13-14,19H,3-12H2,1-2H3,(H,20,21,23)
InChIKeyQYORLDFHPNDFGJ-UHFFFAOYSA-N
XLogP3.94
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea (CID 87418666) is 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea is CNS(=O)(=O)c1cnc(NC(=O)N(C2CCCCC2)C2(C)CCCCC2)s1.
What is the InChIKey of 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
The InChIKey is QYORLDFHPNDFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S2/c1-18(11-7-4-8-12-18)22(14-9-5-3-6-10-14)17(23)21-16-20-13-15(26-16)27(24,25)19-2/h13-14,19H,3-12H2,1-2H3,(H,20,21,23).
What are the key properties of 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea has a molecular weight of 414.60 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(1-methylcyclohexyl)-3-[5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 87418666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).