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

C10H8BrN3OS — CID 739348

IUPAC2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,12,14,15)
InChIKeyXREOVJFBGANJDQ-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.86
Rot. Bonds2

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

2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 739348) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID739348
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,12,14,15)
InChIKeyXREOVJFBGANJDQ-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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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)-3-methyl-benzamide
CID 832881
N-(5-Methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569553
N-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 569481
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569586
4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 745385
2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 838742
2-(4-bromophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 887779
4-bromo-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2960325
2,6-difluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4128371

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 739348) is 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccccc2Br)s1.
What is the InChIKey of 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is XREOVJFBGANJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,12,14,15).
What are the key properties of 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2-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 2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 739348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).