1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea

C14H19N5OS — CID 122245973

IUPAC1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
SMILESO=C(NCc1cn(-c2ccsc2)nn1)NC1CCCCC1
InChIInChI=1S/C14H19N5OS/c20-14(16-11-4-2-1-3-5-11)15-8-12-9-19(18-17-12)13-6-7-21-10-13/h6-7,9-11H,1-5,8H2,(H2,15,16,20)
InChIKeyMZKQQGPDFCNBLD-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.46
Rot. Bonds4

About 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea

1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea (PubChem CID 122245973) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
PubChem CID122245973
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
SMILESO=C(NCc1cn(-c2ccsc2)nn1)NC1CCCCC1
InChIInChI=1S/C14H19N5OS/c20-14(16-11-4-2-1-3-5-11)15-8-12-9-19(18-17-12)13-6-7-21-10-13/h6-7,9-11H,1-5,8H2,(H2,15,16,20)
InChIKeyMZKQQGPDFCNBLD-UHFFFAOYSA-N
XLogP2.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]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-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea (CID 122245973) is 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea is O=C(NCc1cn(-c2ccsc2)nn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea?
The InChIKey is MZKQQGPDFCNBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-14(16-11-4-2-1-3-5-11)15-8-12-9-19(18-17-12)13-6-7-21-10-13/h6-7,9-11H,1-5,8H2,(H2,15,16,20).
What are the key properties of 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea?
1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea has a molecular weight of 305.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea is sourced from PubChem (CID 122245973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).