N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide

C9H6BrClN4OS — CID 114019051

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide
SMILESNc1nnc(NC(=O)c2cc(Cl)cc(Br)c2)s1
InChIInChI=1S/C9H6BrClN4OS/c10-5-1-4(2-6(11)3-5)7(16)13-9-15-14-8(12)17-9/h1-3H,(H2,12,14)(H,13,15,16)
InChIKeyKVCOOVWLWBIJJC-UHFFFAOYSA-N
MW333.60 g/mol
LogP2.79
Rot. Bonds2

About N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide (PubChem CID 114019051) has the molecular formula C9H6BrClN4OS and a molecular weight of 333.60 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide
PubChem CID114019051
Molecular FormulaC9H6BrClN4OS
Molecular Weight333.60 g/mol
Exact Mass331.91
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide
SMILESNc1nnc(NC(=O)c2cc(Cl)cc(Br)c2)s1
InChIInChI=1S/C9H6BrClN4OS/c10-5-1-4(2-6(11)3-5)7(16)13-9-15-14-8(12)17-9/h1-3H,(H2,12,14)(H,13,15,16)
InChIKeyKVCOOVWLWBIJJC-UHFFFAOYSA-N
XLogP2.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.60
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
CID 81306935
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide
CID 107937536
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide
CID 79513171
3-bromo-5-chlorobenzamide
CID 53417471
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
CID 106856525
3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114020153
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
CID 79516243
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-chlorobenzamide
CID 5050273
3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
CID 107944218
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide
CID 79513810

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide (CID 114019051) is N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide is Nc1nnc(NC(=O)c2cc(Cl)cc(Br)c2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide?
The InChIKey is KVCOOVWLWBIJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4OS/c10-5-1-4(2-6(11)3-5)7(16)13-9-15-14-8(12)17-9/h1-3H,(H2,12,14)(H,13,15,16).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide has a molecular weight of 333.60 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide is sourced from PubChem (CID 114019051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).