N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide

C15H21N5OS — CID 71989293

IUPACN-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
SMILESCC(C)c1n[nH]c(=S)n1CCNC(=O)CCc1ccccn1
InChIInChI=1S/C15H21N5OS/c1-11(2)14-18-19-15(22)20(14)10-9-17-13(21)7-6-12-5-3-4-8-16-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyYWEHKTQZPLZEME-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.21
Rot. Bonds7

About N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide

N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide (PubChem CID 71989293) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
PubChem CID71989293
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
SMILESCC(C)c1n[nH]c(=S)n1CCNC(=O)CCc1ccccn1
InChIInChI=1S/C15H21N5OS/c1-11(2)14-18-19-15(22)20(14)10-9-17-13(21)7-6-12-5-3-4-8-16-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyYWEHKTQZPLZEME-UHFFFAOYSA-N
XLogP2.21
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide 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

N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-pyridin-2-ylbutanamide
CID 95174093
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
(E)-3-(2,6-difluorophenyl)-N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]prop-2-enamide
CID 95935142
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
4-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanamide
CID 60864508
3-(3,5-dimethylphenyl)-N-[2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]propanamide
CID 99696500
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide (CID 71989293) is N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide is CC(C)c1n[nH]c(=S)n1CCNC(=O)CCc1ccccn1.
What is the InChIKey of N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide?
The InChIKey is YWEHKTQZPLZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11(2)14-18-19-15(22)20(14)10-9-17-13(21)7-6-12-5-3-4-8-16-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,21)(H,19,22).
What are the key properties of N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide?
N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide has a molecular weight of 319.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 71989293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).