5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide

C8H4BrClN4OS — CID 114912771

IUPAC5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H4BrClN4OS/c9-4-1-2-6(10)5(3-4)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyBYVKFMHMGQQETD-UHFFFAOYSA-N
MW319.57 g/mol
LogP2.60
Rot. Bonds2

About 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide

5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide (PubChem CID 114912771) has the molecular formula C8H4BrClN4OS and a molecular weight of 319.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
PubChem CID114912771
Molecular FormulaC8H4BrClN4OS
Molecular Weight319.57 g/mol
Exact Mass317.90
IUPAC Name5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1cc(Br)ccc1Cl
InChIInChI=1S/C8H4BrClN4OS/c9-4-1-2-6(10)5(3-4)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyBYVKFMHMGQQETD-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

2,4-dibromo-N-(thiatriazol-5-yl)benzamide
CID 107953571
4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912794
4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114912098
2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide
CID 106854440
2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914283
5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide
CID 114912729
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
5-bromo-2-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2225350
3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide
CID 103222246
6-amino-3-chloro-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914322
4-bromo-N-(thiatriazol-5-yl)-1H-pyrrole-2-carboxamide
CID 114912775
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide (CID 114912771) is 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide is O=C(Nc1nnns1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide?
The InChIKey is BYVKFMHMGQQETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN4OS/c9-4-1-2-6(10)5(3-4)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15).
What are the key properties of 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide?
5-bromo-2-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 5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 114912771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).