1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

C13H21N3O2S — CID 111840983

IUPAC1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)NC2CCCCC2O)s1
InChIInChI=1S/C13H21N3O2S/c1-8-7-14-12(19-8)9(2)15-13(18)16-10-5-3-4-6-11(10)17/h7,9-11,17H,3-6H2,1-2H3,(H2,15,16,18)
InChIKeyVRBVYYXPZYAROU-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea

1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 111840983) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID111840983
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1cnc(C(C)NC(=O)NC2CCCCC2O)s1
InChIInChI=1S/C13H21N3O2S/c1-8-7-14-12(19-8)9(2)15-13(18)16-10-5-3-4-6-11(10)17/h7,9-11,17H,3-6H2,1-2H3,(H2,15,16,18)
InChIKeyVRBVYYXPZYAROU-UHFFFAOYSA-N
XLogP2.12
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]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-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 111840983) is 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc(C(C)NC(=O)NC2CCCCC2O)s1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is VRBVYYXPZYAROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-8-7-14-12(19-8)9(2)15-13(18)16-10-5-3-4-6-11(10)17/h7,9-11,17H,3-6H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 283.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 111840983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).