N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

C10H10ClN5OS — CID 18078175

IUPACN-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESCC(Sc1ncn[nH]1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H10ClN5OS/c1-6(18-10-13-5-14-16-10)9(17)15-8-3-2-7(11)4-12-8/h2-6H,1H3,(H,12,15,17)(H,13,14,16)
InChIKeySCCCDACPVLIASJ-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.97
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (PubChem CID 18078175) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
PubChem CID18078175
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESCC(Sc1ncn[nH]1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H10ClN5OS/c1-6(18-10-13-5-14-16-10)9(17)15-8-3-2-7(11)4-12-8/h2-6H,1H3,(H,12,15,17)(H,13,14,16)
InChIKeySCCCDACPVLIASJ-UHFFFAOYSA-N
XLogP1.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide 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 N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (CID 18078175) is N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is CC(Sc1ncn[nH]1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The InChIKey is SCCCDACPVLIASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c1-6(18-10-13-5-14-16-10)9(17)15-8-3-2-7(11)4-12-8/h2-6H,1H3,(H,12,15,17)(H,13,14,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide has a molecular weight of 283.74 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is sourced from PubChem (CID 18078175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).