2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole

C16H10N4S2 — CID 57296577

IUPAC2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(-c3nnc(-c4ccccc4)s3)s2)cc1
InChIInChI=1S/C16H10N4S2/c1-3-7-11(8-4-1)13-17-19-15(21-13)16-20-18-14(22-16)12-9-5-2-6-10-12/h1-10H
InChIKeyCXLGJZCYHJAKNZ-UHFFFAOYSA-N
MW322.42 g/mol
LogP4.39
Rot. Bonds3

About 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole

2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole (PubChem CID 57296577) has the molecular formula C16H10N4S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole
PubChem CID57296577
Molecular FormulaC16H10N4S2
Molecular Weight322.42 g/mol
Exact Mass322.03
IUPAC Name2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(-c3nnc(-c4ccccc4)s3)s2)cc1
InChIInChI=1S/C16H10N4S2/c1-3-7-11(8-4-1)13-17-19-15(21-13)16-20-18-14(22-16)12-9-5-2-6-10-12/h1-10H
InChIKeyCXLGJZCYHJAKNZ-UHFFFAOYSA-N
XLogP4.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole (CID 57296577) is 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole is c1ccc(-c2nnc(-c3nnc(-c4ccccc4)s3)s2)cc1.
What is the InChIKey of 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole?
The InChIKey is CXLGJZCYHJAKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S2/c1-3-7-11(8-4-1)13-17-19-15(21-13)16-20-18-14(22-16)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole?
2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole has a molecular weight of 322.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 57296577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).