N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

About N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide (PubChem CID 86957844) has the molecular formula C19H23N5OS2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide.

Molecular Properties

Compound Name	N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
PubChem CID	86957844
Molecular Formula	C19H23N5OS2
Molecular Weight	401.56 g/mol
Exact Mass	401.13
IUPAC Name	N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
SMILES	Cc1cccnc1C(NC(=O)C(C)n1c(-c2cccs2)n[nH]c1=S)C(C)C
InChI	InChI=1S/C19H23N5OS2/c1-11(2)15(16-12(3)7-5-9-20-16)21-18(25)13(4)24-17(22-23-19(24)26)14-8-6-10-27-14/h5-11,13,15H,1-4H3,(H,21,25)(H,23,26)
InChIKey	DLDBWZMYNHMQQC-UHFFFAOYSA-N
XLogP	4.45
TPSA	75.60 Å²
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	401.56
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide?

The IUPAC name of N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide (CID 86957844) is N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide.

What is the SMILES notation for N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide?

The canonical SMILES for N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide is Cc1cccnc1C(NC(=O)C(C)n1c(-c2cccs2)n[nH]c1=S)C(C)C.

What is the InChIKey of N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide?

The InChIKey is DLDBWZMYNHMQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS2/c1-11(2)15(16-12(3)7-5-9-20-16)21-18(25)13(4)24-17(22-23-19(24)26)14-8-6-10-27-14/h5-11,13,15H,1-4H3,(H,21,25)(H,23,26).

What are the key properties of N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide?

N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide has a molecular weight of 401.56 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide is sourced from PubChem (CID 86957844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).