N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide

C7H5BrN4O2S — CID 106856525

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
SMILESNc1nnc(NC(=O)c2ccoc2Br)s1
InChIInChI=1S/C7H5BrN4O2S/c8-4-3(1-2-14-4)5(13)10-7-12-11-6(9)15-7/h1-2H,(H2,9,11)(H,10,12,13)
InChIKeyQBAYZUOCENYSPV-UHFFFAOYSA-N
MW289.11 g/mol
LogP1.73
Rot. Bonds2

About N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide (PubChem CID 106856525) has the molecular formula C7H5BrN4O2S and a molecular weight of 289.11 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
PubChem CID106856525
Molecular FormulaC7H5BrN4O2S
Molecular Weight289.11 g/mol
Exact Mass287.93
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
SMILESNc1nnc(NC(=O)c2ccoc2Br)s1
InChIInChI=1S/C7H5BrN4O2S/c8-4-3(1-2-14-4)5(13)10-7-12-11-6(9)15-7/h1-2H,(H2,9,11)(H,10,12,13)
InChIKeyQBAYZUOCENYSPV-UHFFFAOYSA-N
XLogP1.73
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.11
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 79513071
2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide
CID 106854440
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 106854400
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide
CID 79513810
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
CID 81306935
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 79513455
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide
CID 79512495
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275
2-bromo-N-thiophen-3-ylfuran-3-carboxamide
CID 106854104
N-(3-amino-4-pyridinyl)-2-bromofuran-3-carboxamide
CID 106850810
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide
CID 114019051

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide (CID 106856525) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide is Nc1nnc(NC(=O)c2ccoc2Br)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide?
The InChIKey is QBAYZUOCENYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O2S/c8-4-3(1-2-14-4)5(13)10-7-12-11-6(9)15-7/h1-2H,(H2,9,11)(H,10,12,13).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide has a molecular weight of 289.11 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide is sourced from PubChem (CID 106856525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).