2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole

C14H11N3S — CID 157204141

IUPAC2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccccc3)s2)cn1
InChIInChI=1S/C14H11N3S/c1-10-7-8-12(9-15-10)14-17-16-13(18-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyARDMFYHZHWKBDN-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.58
Rot. Bonds2

About 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole

2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 157204141) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
PubChem CID157204141
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(-c3ccccc3)s2)cn1
InChIInChI=1S/C14H11N3S/c1-10-7-8-12(9-15-10)14-17-16-13(18-14)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyARDMFYHZHWKBDN-UHFFFAOYSA-N
XLogP3.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
CID 22899620
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine
CID 59953851
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
3-(benzylsulfanylmethyl)-6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135637930
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376
2-tert-butyl-5-phenyl-1,3,4-thiadiazole
CID 58088024
6-(6-methyl-3-pyridinyl)-3-(2-phenylethylsulfanylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135637943
2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane
CID 91493017

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole (CID 157204141) is 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole is Cc1ccc(-c2nnc(-c3ccccc3)s2)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is ARDMFYHZHWKBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-10-7-8-12(9-15-10)14-17-16-13(18-14)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole?
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole has a molecular weight of 253.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 157204141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).