2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C16H12BrN3OS — CID 4191838

IUPAC2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3ccccc3Br)s2)c1
InChIInChI=1S/C16H12BrN3OS/c1-10-5-4-6-11(9-10)15-19-20-16(22-15)18-14(21)12-7-2-3-8-13(12)17/h2-9H,1H3,(H,18,20,21)
InChIKeyIYUALHTWEJNTGC-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.53
Rot. Bonds3

About 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 4191838) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID4191838
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3ccccc3Br)s2)c1
InChIInChI=1S/C16H12BrN3OS/c1-10-5-4-6-11(9-10)15-19-20-16(22-15)18-14(21)12-7-2-3-8-13(12)17/h2-9H,1H3,(H,18,20,21)
InChIKeyIYUALHTWEJNTGC-UHFFFAOYSA-N
XLogP4.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23969392
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4111551
2-bromo-N-[5-[4-(3-hydroxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 171344955
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 977301
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23458586
2-bromo-N-[1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 4635560
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55824791
N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 82176812

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 4191838) is 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1cccc(-c2nnc(NC(=O)c3ccccc3Br)s2)c1.
What is the InChIKey of 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is IYUALHTWEJNTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c1-10-5-4-6-11(9-10)15-19-20-16(22-15)18-14(21)12-7-2-3-8-13(12)17/h2-9H,1H3,(H,18,20,21).
What are the key properties of 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 374.26 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 4191838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).