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

C10H8BrN3OS — CID 745385

IUPAC4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,14,15)
InChIKeyWRTPVZMOUBYPJD-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.86
Rot. Bonds2

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

4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 745385) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID745385
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,14,15)
InChIKeyWRTPVZMOUBYPJD-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
4-bromo-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894049
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
2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 739348
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 745385) is 4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of 4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WRTPVZMOUBYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c1-6-13-14-10(16-6)12-9(15)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,14,15).
What are the key properties of 4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-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 4-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 745385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).