2,4-dibromo-N-(thiatriazol-5-yl)benzamide

C8H4Br2N4OS — CID 107953571

IUPAC2,4-dibromo-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc(Br)cc1Br
InChIInChI=1S/C8H4Br2N4OS/c9-4-1-2-5(6(10)3-4)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyVHMUNUGSGKHDCV-UHFFFAOYSA-N
MW364.02 g/mol
LogP2.71
Rot. Bonds2

About 2,4-dibromo-N-(thiatriazol-5-yl)benzamide

2,4-dibromo-N-(thiatriazol-5-yl)benzamide (PubChem CID 107953571) has the molecular formula C8H4Br2N4OS and a molecular weight of 364.02 g/mol. Its IUPAC name is 2,4-dibromo-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(thiatriazol-5-yl)benzamide
PubChem CID107953571
Molecular FormulaC8H4Br2N4OS
Molecular Weight364.02 g/mol
Exact Mass361.85
IUPAC Name2,4-dibromo-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc(Br)cc1Br
InChIInChI=1S/C8H4Br2N4OS/c9-4-1-2-5(6(10)3-4)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyVHMUNUGSGKHDCV-UHFFFAOYSA-N
XLogP2.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.02
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
CID 164656698
2,4-dibromo-N-(thiadiazol-5-yl)benzamide
CID 103282575
2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide
CID 106854440
2-amino-5-bromo-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914283
4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912794
4-bromo-N-(thiatriazol-5-yl)-1H-pyrrole-2-carboxamide
CID 114912775
4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914399
3-hydroxy-N-(thiatriazol-5-yl)naphthalene-2-carboxamide
CID 114912843
2,4-dibromo-N-carbamoylbenzamide
CID 107941660
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(thiatriazol-5-yl)benzamide (CID 107953571) is 2,4-dibromo-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(thiatriazol-5-yl)benzamide is O=C(Nc1nnns1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(thiatriazol-5-yl)benzamide?
The InChIKey is VHMUNUGSGKHDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N4OS/c9-4-1-2-5(6(10)3-4)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15).
What are the key properties of 2,4-dibromo-N-(thiatriazol-5-yl)benzamide?
2,4-dibromo-N-(thiatriazol-5-yl)benzamide has a molecular weight of 364.02 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 107953571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).