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

C14H9BrN4OS — CID 1249377

IUPAC2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)s1)c1ccccc1Br
InChIInChI=1S/C14H9BrN4OS/c15-11-6-2-1-5-10(11)12(20)17-14-19-18-13(21-14)9-4-3-7-16-8-9/h1-8H,(H,17,19,20)
InChIKeyZXQJEGMKDIHDMO-UHFFFAOYSA-N
MW361.22 g/mol
LogP3.61
Rot. Bonds3

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

2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1249377) has the molecular formula C14H9BrN4OS and a molecular weight of 361.22 g/mol. Its IUPAC name is 2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1249377
Molecular FormulaC14H9BrN4OS
Molecular Weight361.22 g/mol
Exact Mass359.97
IUPAC Name2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)s1)c1ccccc1Br
InChIInChI=1S/C14H9BrN4OS/c15-11-6-2-1-5-10(11)12(20)17-14-19-18-13(21-14)9-4-3-7-16-8-9/h1-8H,(H,17,19,20)
InChIKeyZXQJEGMKDIHDMO-UHFFFAOYSA-N
XLogP3.61
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1249377) is 2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccnc2)s1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ZXQJEGMKDIHDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4OS/c15-11-6-2-1-5-10(11)12(20)17-14-19-18-13(21-14)9-4-3-7-16-8-9/h1-8H,(H,17,19,20).
What are the key properties of 2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 361.22 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1249377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).