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

C9H6BrClN4OS — CID 81306935

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
SMILESNc1nnc(NC(=O)c2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C9H6BrClN4OS/c10-5-2-1-4(3-6(5)11)7(16)13-9-15-14-8(12)17-9/h1-3H,(H2,12,14)(H,13,15,16)
InChIKeyDMDOTBUKRWZDSW-UHFFFAOYSA-N
MW333.60 g/mol
LogP2.79
Rot. Bonds2

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

N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide (PubChem CID 81306935) 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)-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
PubChem CID81306935
Molecular FormulaC9H6BrClN4OS
Molecular Weight333.60 g/mol
Exact Mass331.91
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
SMILESNc1nnc(NC(=O)c2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C9H6BrClN4OS/c10-5-2-1-4(3-6(5)11)7(16)13-9-15-14-8(12)17-9/h1-3H,(H2,12,14)(H,13,15,16)
InChIKeyDMDOTBUKRWZDSW-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)-3-bromo-4-methoxybenzamide
CID 79513171
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912794
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide
CID 114019051
4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 81307785
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
CID 81290030
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide
CID 79513810
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
CID 106856525
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
CID 79512579
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide (CID 81306935) is N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide is Nc1nnc(NC(=O)c2ccc(Br)c(Cl)c2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide?
The InChIKey is DMDOTBUKRWZDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4OS/c10-5-2-1-4(3-6(5)11)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)-4-bromo-3-chlorobenzamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-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)-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81306935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).