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

C7H5BrN4OS2 — CID 79513810

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide
SMILESNc1nnc(NC(=O)c2sccc2Br)s1
InChIInChI=1S/C7H5BrN4OS2/c8-3-1-2-14-4(3)5(13)10-7-12-11-6(9)15-7/h1-2H,(H2,9,11)(H,10,12,13)
InChIKeyOSJUJEVCUJMXIQ-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.20
Rot. Bonds2

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

N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide (PubChem CID 79513810) has the molecular formula C7H5BrN4OS2 and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide
PubChem CID79513810
Molecular FormulaC7H5BrN4OS2
Molecular Weight305.18 g/mol
Exact Mass303.91
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide
SMILESNc1nnc(NC(=O)c2sccc2Br)s1
InChIInChI=1S/C7H5BrN4OS2/c8-3-1-2-14-4(3)5(13)10-7-12-11-6(9)15-7/h1-2H,(H2,9,11)(H,10,12,13)
InChIKeyOSJUJEVCUJMXIQ-UHFFFAOYSA-N
XLogP2.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47233955
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
CID 81306935
3-bromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 47231538
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-bromofuran-3-carboxamide
CID 106856525
3-bromo-N-(1-methylimidazol-2-yl)thiophene-2-carboxamide
CID 131043350
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide
CID 79513171
3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide
CID 116787231
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-5-chlorobenzamide
CID 114019051
N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
CID 63804092
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
N-(5-amino-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
CID 79515195

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide (CID 79513810) is N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide is Nc1nnc(NC(=O)c2sccc2Br)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide?
The InChIKey is OSJUJEVCUJMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4OS2/c8-3-1-2-14-4(3)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)-3-bromothiophene-2-carboxamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromothiophene-2-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 2.20, 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)-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 79513810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).