1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea

C11H17N3OS — CID 4129191

IUPAC1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-16-11(12-8)14-10(15)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyLJPHGWXAEYWFII-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.91
Rot. Bonds2

About 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea

1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 4129191) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID4129191
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NC2CCCCC2)n1
InChIInChI=1S/C11H17N3OS/c1-8-7-16-11(12-8)14-10(15)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyLJPHGWXAEYWFII-UHFFFAOYSA-N
XLogP2.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 4129191) is 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is LJPHGWXAEYWFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-7-16-11(12-8)14-10(15)13-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 239.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 4129191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).