5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide

C13H8BrN3O2S — CID 60732690

IUPAC5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnco2)c1)c1ccc(Br)s1
InChIInChI=1S/C13H8BrN3O2S/c14-11-5-4-10(20-11)12(18)16-9-3-1-2-8(6-9)13-17-15-7-19-13/h1-7H,(H,16,18)
InChIKeyDEUXYGPBMKYEQO-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.81
Rot. Bonds3

About 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide

5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 60732690) has the molecular formula C13H8BrN3O2S and a molecular weight of 350.20 g/mol. Its IUPAC name is 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID60732690
Molecular FormulaC13H8BrN3O2S
Molecular Weight350.20 g/mol
Exact Mass348.95
IUPAC Name5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnco2)c1)c1ccc(Br)s1
InChIInChI=1S/C13H8BrN3O2S/c14-11-5-4-10(20-11)12(18)16-9-3-1-2-8(6-9)13-17-15-7-19-13/h1-7H,(H,16,18)
InChIKeyDEUXYGPBMKYEQO-UHFFFAOYSA-N
XLogP3.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 79915544
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47164595
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 42236342
5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide
CID 46568246
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569206
6-[3-[(5-bromothiophene-2-carbonyl)amino]phenyl]-1H-indazole-3-carboxylic acid
CID 68622241

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide (CID 60732690) is 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(-c2nnco2)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is DEUXYGPBMKYEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2S/c14-11-5-4-10(20-11)12(18)16-9-3-1-2-8(6-9)13-17-15-7-19-13/h1-7H,(H,16,18).
What are the key properties of 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 350.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60732690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).