1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea

C17H27N3OS — CID 11255707

IUPAC1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1
InChIInChI=1S/C17H27N3OS/c1-13-12-18-16(22-13)19-17(21)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3,(H,18,19,21)
InChIKeyQVNMTPGNLJKFCC-UHFFFAOYSA-N
MW321.49 g/mol
LogP4.95
Rot. Bonds3

About 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea

1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 11255707) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID11255707
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1
InChIInChI=1S/C17H27N3OS/c1-13-12-18-16(22-13)19-17(21)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3,(H,18,19,21)
InChIKeyQVNMTPGNLJKFCC-UHFFFAOYSA-N
XLogP4.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 47197229
N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide
CID 47197239
N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide
CID 71916802
1-(1-Cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 71978932
1-(5-Ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71998287
1-Cyclohexyl-3-(5-methylthiazol-2-yl)urea
CID 16729615
1-Cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
CID 57883537
1,1-Dicyclohexyl-3-(5-fluoro-1,3-thiazol-2-yl)urea
CID 57883622
1-(4-Methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea
CID 57883812
(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 86631926
1-Cyclohexyl-1-(4,4-difluorocyclohexyl)-3-(5-sulfanyl-1,3-thiazol-2-yl)urea
CID 141119421
1-Cyclohexyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea
CID 128045859

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 11255707) is 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1.
What is the InChIKey of 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is QVNMTPGNLJKFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-13-12-18-16(22-13)19-17(21)20(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3,(H,18,19,21).
What are the key properties of 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 321.49 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 11255707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).