3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide

C15H12N4O2S — CID 743990

IUPAC3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1
InChIInChI=1S/C15H12N4O2S/c1-21-12-4-2-3-11(9-12)13(20)17-15-19-18-14(22-15)10-5-7-16-8-6-10/h2-9H,1H3,(H,17,19,20)
InChIKeyPWGXCOAGYGCQJW-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.86
Rot. Bonds4

About 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide

3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 743990) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID743990
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1
InChIInChI=1S/C15H12N4O2S/c1-21-12-4-2-3-11(9-12)13(20)17-15-19-18-14(22-15)10-5-7-16-8-6-10/h2-9H,1H3,(H,17,19,20)
InChIKeyPWGXCOAGYGCQJW-UHFFFAOYSA-N
XLogP2.86
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 743990) is 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1.
What is the InChIKey of 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PWGXCOAGYGCQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-21-12-4-2-3-11(9-12)13(20)17-15-19-18-14(22-15)10-5-7-16-8-6-10/h2-9H,1H3,(H,17,19,20).
What are the key properties of 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 312.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 743990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).