5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine

C13H10N4S — CID 5147983

IUPAC5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(Nc3ccncc3)s2)cc1
InChIInChI=1S/C13H10N4S/c1-2-4-10(5-3-1)12-16-17-13(18-12)15-11-6-8-14-9-7-11/h1-9H,(H,14,15,17)
InChIKeyHEUFXGHJKWHQIZ-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.34
Rot. Bonds3

About 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine

5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 5147983) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID5147983
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(Nc3ccncc3)s2)cc1
InChIInChI=1S/C13H10N4S/c1-2-4-10(5-3-1)12-16-17-13(18-12)15-11-6-8-14-9-7-11/h1-9H,(H,14,15,17)
InChIKeyHEUFXGHJKWHQIZ-UHFFFAOYSA-N
XLogP3.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-anilino-1,3,4-thiadiazol-2-yl)phenyl]-3-phenylthiourea
CID 3002888
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 4915020
N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 71607470
5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 23878745
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108772112
2-methyl-5-pyridin-4-yl-1,3,4-thiadiazole
CID 23346364
5-phenyl-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 31535225
(E)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 744044
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 156770995

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine (CID 5147983) is 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine is c1ccc(-c2nnc(Nc3ccncc3)s2)cc1.
What is the InChIKey of 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is HEUFXGHJKWHQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c1-2-4-10(5-3-1)12-16-17-13(18-12)15-11-6-8-14-9-7-11/h1-9H,(H,14,15,17).
What are the key properties of 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine?
5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 254.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-pyridin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5147983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).