1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea

C19H21N5O2S — CID 90541851

About 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea

1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea (PubChem CID 90541851) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

• Compound Name: 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea
• PubChem CID: 90541851
• Molecular Formula: C19H21N5O2S
• Molecular Weight: 383.48 g/mol
• Exact Mass: 383.14
• IUPAC Name: 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea
• SMILES: Cc1ccccc1NC(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O
• InChI: InChI=1S/C19H21N5O2S/c1-13-5-2-3-6-15(13)21-18(25)20-10-11-23-19(26)24(14-8-9-14)17(22-23)16-7-4-12-27-16/h2-7,12,14H,8-11H2,1H3,(H2,20,21,25)
• InChIKey: QFMZZTCNAKFXNA-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 80.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.48
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea?

The IUPAC name of 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea (CID 90541851) is 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea.

What is the SMILES notation for 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea?

The canonical SMILES for 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCn1nc(-c2cccs2)n(C2CC2)c1=O.

What is the InChIKey of 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea?

The InChIKey is QFMZZTCNAKFXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-13-5-2-3-6-15(13)21-18(25)20-10-11-23-19(26)24(14-8-9-14)17(22-23)16-7-4-12-27-16/h2-7,12,14H,8-11H2,1H3,(H2,20,21,25).

What are the key properties of 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea?

1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 383.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 90541851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).