1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea

C16H23N5OS — CID 51083154

IUPAC1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCCn1cnnc1CNC(=O)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H23N5OS/c1-2-21-11-18-20-14(21)10-17-16(22)19-15(12-6-3-4-7-12)13-8-5-9-23-13/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3,(H2,17,19,22)
InChIKeyLGDGJXGYRLQTPE-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.09
Rot. Bonds6

About 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea

1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 51083154) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID51083154
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCCn1cnnc1CNC(=O)NC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H23N5OS/c1-2-21-11-18-20-14(21)10-17-16(22)19-15(12-6-3-4-7-12)13-8-5-9-23-13/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3,(H2,17,19,22)
InChIKeyLGDGJXGYRLQTPE-UHFFFAOYSA-N
XLogP3.09
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-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-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea (CID 51083154) is 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea is CCn1cnnc1CNC(=O)NC(c1cccs1)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is LGDGJXGYRLQTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-2-21-11-18-20-14(21)10-17-16(22)19-15(12-6-3-4-7-12)13-8-5-9-23-13/h5,8-9,11-12,15H,2-4,6-7,10H2,1H3,(H2,17,19,22).
What are the key properties of 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 333.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(thiophen-2-yl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 51083154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).