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

C10H8BrN3OS — CID 745384

IUPAC3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(Br)c2)s1
InChIInChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,14,15)
InChIKeyXPSROLAXZJFQHI-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.86
Rot. Bonds2

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

3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 745384) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID745384
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(Br)c2)s1
InChIInChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,14,15)
InChIKeyXPSROLAXZJFQHI-UHFFFAOYSA-N
XLogP2.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 745384) is 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2cccc(Br)c2)s1.
What is the InChIKey of 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is XPSROLAXZJFQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,14,15).
What are the key properties of 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 298.17 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 745384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).