2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid

C12H13N3O3S — CID 113380394

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(Sc2nnc(C)o2)n1
InChIInChI=1S/C12H13N3O3S/c1-3-4-9-5-8(11(16)17)6-10(13-9)19-12-15-14-7(2)18-12/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyGICVVLBIXCSUEZ-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.57
Rot. Bonds5

About 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid (PubChem CID 113380394) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid
PubChem CID113380394
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(Sc2nnc(C)o2)n1
InChIInChI=1S/C12H13N3O3S/c1-3-4-9-5-8(11(16)17)6-10(13-9)19-12-15-14-7(2)18-12/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyGICVVLBIXCSUEZ-UHFFFAOYSA-N
XLogP2.57
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid 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-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid (CID 113380394) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(Sc2nnc(C)o2)n1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid?
The InChIKey is GICVVLBIXCSUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-3-4-9-5-8(11(16)17)6-10(13-9)19-12-15-14-7(2)18-12/h5-6H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 113380394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).