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

C10H7BrClN3OS — CID 103975385

IUPAC3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(Br)c2Cl)s1
InChIInChI=1S/C10H7BrClN3OS/c1-5-14-15-10(17-5)13-9(16)6-3-2-4-7(11)8(6)12/h2-4H,1H3,(H,13,15,16)
InChIKeyIORWDHFAJJCYAU-UHFFFAOYSA-N
MW332.61 g/mol
LogP3.51
Rot. Bonds2

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

3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 103975385) has the molecular formula C10H7BrClN3OS and a molecular weight of 332.61 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID103975385
Molecular FormulaC10H7BrClN3OS
Molecular Weight332.61 g/mol
Exact Mass330.92
IUPAC Name3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(Br)c2Cl)s1
InChIInChI=1S/C10H7BrClN3OS/c1-5-14-15-10(17-5)13-9(16)6-3-2-4-7(11)8(6)12/h2-4H,1H3,(H,13,15,16)
InChIKeyIORWDHFAJJCYAU-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115599468
2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16563023
2-bromo-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23969392
3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 103990810
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191838
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indazole-4-carboxamide
CID 47381995
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167938873
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
CID 17374715
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103988699

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 103975385) is 3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2cccc(Br)c2Cl)s1.
What is the InChIKey of 3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is IORWDHFAJJCYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3OS/c1-5-14-15-10(17-5)13-9(16)6-3-2-4-7(11)8(6)12/h2-4H,1H3,(H,13,15,16).
What are the key properties of 3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 332.61 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 103975385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).