2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

C15H21N5O2S — CID 659667

IUPAC2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCCc1nnc(SCC(=O)Nc2ccc(OCC)cc2)n1N
InChIInChI=1S/C15H21N5O2S/c1-3-5-13-18-19-15(20(13)16)23-10-14(21)17-11-6-8-12(9-7-11)22-4-2/h6-9H,3-5,10,16H2,1-2H3,(H,17,21)
InChIKeyXMVVTVCKMJOSEF-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.07
Rot. Bonds8

About 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide

2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 659667) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID659667
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCCc1nnc(SCC(=O)Nc2ccc(OCC)cc2)n1N
InChIInChI=1S/C15H21N5O2S/c1-3-5-13-18-19-15(20(13)16)23-10-14(21)17-11-6-8-12(9-7-11)22-4-2/h6-9H,3-5,10,16H2,1-2H3,(H,17,21)
InChIKeyXMVVTVCKMJOSEF-UHFFFAOYSA-N
XLogP2.07
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide 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 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (CID 659667) is 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is CCCc1nnc(SCC(=O)Nc2ccc(OCC)cc2)n1N.
What is the InChIKey of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is XMVVTVCKMJOSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-5-13-18-19-15(20(13)16)23-10-14(21)17-11-6-8-12(9-7-11)22-4-2/h6-9H,3-5,10,16H2,1-2H3,(H,17,21).
What are the key properties of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide?
2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 659667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).