bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone

C15H8N6OS2 — CID 174585752

IUPACbis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccncc2)s1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H8N6OS2/c22-11(14-20-18-12(23-14)9-1-5-16-6-2-9)15-21-19-13(24-15)10-3-7-17-8-4-10/h1-8H
InChIKeyKDTWFUQFNMOGMJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.74
Rot. Bonds4

About bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone

bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone (PubChem CID 174585752) has the molecular formula C15H8N6OS2 and a molecular weight of 352.40 g/mol. Its IUPAC name is bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone.

Molecular Properties

Compound Namebis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone
PubChem CID174585752
Molecular FormulaC15H8N6OS2
Molecular Weight352.40 g/mol
Exact Mass352.02
IUPAC Namebis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccncc2)s1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H8N6OS2/c22-11(14-20-18-12(23-14)9-1-5-16-6-2-9)15-21-19-13(24-15)10-3-7-17-8-4-10/h1-8H
InChIKeyKDTWFUQFNMOGMJ-UHFFFAOYSA-N
XLogP2.74
TPSA94.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone?
The IUPAC name of bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone (CID 174585752) is bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone.
What is the SMILES notation for bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone?
The canonical SMILES for bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone is O=C(c1nnc(-c2ccncc2)s1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone?
The InChIKey is KDTWFUQFNMOGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N6OS2/c22-11(14-20-18-12(23-14)9-1-5-16-6-2-9)15-21-19-13(24-15)10-3-7-17-8-4-10/h1-8H.
What are the key properties of bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone?
bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone has a molecular weight of 352.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methanone is sourced from PubChem (CID 174585752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).