4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide

C8H4BrClN4OS — CID 114912794

IUPAC4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H4BrClN4OS/c9-5-2-1-4(3-6(5)10)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyJITVZVNEYQBNOT-UHFFFAOYSA-N
MW319.57 g/mol
LogP2.60
Rot. Bonds2

About 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide

4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide (PubChem CID 114912794) has the molecular formula C8H4BrClN4OS and a molecular weight of 319.57 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
PubChem CID114912794
Molecular FormulaC8H4BrClN4OS
Molecular Weight319.57 g/mol
Exact Mass317.90
IUPAC Name4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C8H4BrClN4OS/c9-5-2-1-4(3-6(5)10)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyJITVZVNEYQBNOT-UHFFFAOYSA-N
XLogP2.60
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide
CID 103222246
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769
3-chloro-4-nitro-N-(thiatriazol-5-yl)benzamide
CID 114912099
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
CID 81306935
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide
CID 114912096
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 81290528
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 81307785

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide (CID 114912794) is 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide is O=C(Nc1nnns1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide?
The InChIKey is JITVZVNEYQBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN4OS/c9-5-2-1-4(3-6(5)10)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15).
What are the key properties of 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide?
4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide has a molecular weight of 319.57 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 114912794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).