2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole

C13H17N3S — CID 123183756

IUPAC2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCCC(c1nnc(-c2ccccn2)s1)C(C)C
InChIInChI=1S/C13H17N3S/c1-4-10(9(2)3)12-15-16-13(17-12)11-7-5-6-8-14-11/h5-10H,4H2,1-3H3
InChIKeyMORYJLFIDPTVGF-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.75
Rot. Bonds4

About 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole

2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole (PubChem CID 123183756) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
PubChem CID123183756
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
SMILESCCC(c1nnc(-c2ccccn2)s1)C(C)C
InChIInChI=1S/C13H17N3S/c1-4-10(9(2)3)12-15-16-13(17-12)11-7-5-6-8-14-11/h5-10H,4H2,1-3H3
InChIKeyMORYJLFIDPTVGF-UHFFFAOYSA-N
XLogP3.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)butan-1-ol
CID 130412460
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 101460116
(2S,3S)-3-methyl-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122050500
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065
(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methanol
CID 58504238
2-(2-butan-2-ylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55810418
N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467966
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
[(1R)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)ethyl] (2S)-2-acetyloxy-2-phenylacetate
CID 67966414
N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467718
N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide
CID 142574787
N-methyl-5-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133466920

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole (CID 123183756) is 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole is CCC(c1nnc(-c2ccccn2)s1)C(C)C.
What is the InChIKey of 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
The InChIKey is MORYJLFIDPTVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-10(9(2)3)12-15-16-13(17-12)11-7-5-6-8-14-11/h5-10H,4H2,1-3H3.
What are the key properties of 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole?
2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole has a molecular weight of 247.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 123183756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).