2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide

C17H23N5OS — CID 41269841

IUPAC2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)CSc1nncn1C1CC1)c1ccccc1
InChIInChI=1S/C17H23N5OS/c1-21(14-6-3-2-4-7-14)11-5-10-18-16(23)12-24-17-20-19-13-22(17)15-8-9-15/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,23)
InChIKeySZLQUOVIUILLQT-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.35
Rot. Bonds9

About 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 41269841) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID41269841
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)CSc1nncn1C1CC1)c1ccccc1
InChIInChI=1S/C17H23N5OS/c1-21(14-6-3-2-4-7-14)11-5-10-18-16(23)12-24-17-20-19-13-22(17)15-8-9-15/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,23)
InChIKeySZLQUOVIUILLQT-UHFFFAOYSA-N
XLogP2.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-hydroxypropyl)acetamide
CID 43417624
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-hydroxypentyl)acetamide
CID 107300528
N-[3-(N-methylanilino)propyl]-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 16593977
3-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]propanoic acid
CID 60989684
2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 34504974
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylprop-2-enyl)acetamide
CID 114618581
N-[3-(N-methylanilino)propyl]-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34273704
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 40689481
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825067
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877541

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide (CID 41269841) is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide is CN(CCCNC(=O)CSc1nncn1C1CC1)c1ccccc1.
What is the InChIKey of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is SZLQUOVIUILLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-21(14-6-3-2-4-7-14)11-5-10-18-16(23)12-24-17-20-19-13-22(17)15-8-9-15/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,23).
What are the key properties of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide?
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 41269841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).