2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide

C6H3BrN4O2S — CID 106854440

IUPAC2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide
SMILESO=C(Nc1nnns1)c1ccoc1Br
InChIInChI=1S/C6H3BrN4O2S/c7-4-3(1-2-13-4)5(12)8-6-9-10-11-14-6/h1-2H,(H,8,9,11,12)
InChIKeyDRSMQMTTXVHVPE-UHFFFAOYSA-N
MW275.09 g/mol
LogP1.54
Rot. Bonds2

About 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide

2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide (PubChem CID 106854440) has the molecular formula C6H3BrN4O2S and a molecular weight of 275.09 g/mol. Its IUPAC name is 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide
PubChem CID106854440
Molecular FormulaC6H3BrN4O2S
Molecular Weight275.09 g/mol
Exact Mass273.92
IUPAC Name2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide
SMILESO=C(Nc1nnns1)c1ccoc1Br
InChIInChI=1S/C6H3BrN4O2S/c7-4-3(1-2-13-4)5(12)8-6-9-10-11-14-6/h1-2H,(H,8,9,11,12)
InChIKeyDRSMQMTTXVHVPE-UHFFFAOYSA-N
XLogP1.54
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
CID 106856525
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 106854400
2,4-dibromo-N-(thiatriazol-5-yl)benzamide
CID 107953571
2-bromo-N-(thiadiazol-5-yl)furan-3-carboxamide
CID 106854439
4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
CID 164656698
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914399
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769
2-bromo-N-thiophen-3-ylfuran-3-carboxamide
CID 106854104
4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912794
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide (CID 106854440) is 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide is O=C(Nc1nnns1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide?
The InChIKey is DRSMQMTTXVHVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN4O2S/c7-4-3(1-2-13-4)5(12)8-6-9-10-11-14-6/h1-2H,(H,8,9,11,12).
What are the key properties of 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide?
2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide has a molecular weight of 275.09 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide is sourced from PubChem (CID 106854440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).