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

C16H14N4O3S — CID 842049

IUPAC2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1OC
InChIInChI=1S/C16H14N4O3S/c1-22-12-5-3-4-11(13(12)23-2)14(21)18-16-20-19-15(24-16)10-6-8-17-9-7-10/h3-9H,1-2H3,(H,18,20,21)
InChIKeyDAHJHDZZSWVOFZ-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.87
Rot. Bonds5

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

2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 842049) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID842049
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1OC
InChIInChI=1S/C16H14N4O3S/c1-22-12-5-3-4-11(13(12)23-2)14(21)18-16-20-19-15(24-16)10-6-8-17-9-7-10/h3-9H,1-2H3,(H,18,20,21)
InChIKeyDAHJHDZZSWVOFZ-UHFFFAOYSA-N
XLogP2.87
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 842049) is 2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DAHJHDZZSWVOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-22-12-5-3-4-11(13(12)23-2)14(21)18-16-20-19-15(24-16)10-6-8-17-9-7-10/h3-9H,1-2H3,(H,18,20,21).
What are the key properties of 2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 342.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 842049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).