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

C14H10BrN3O2S — CID 79915544

IUPAC5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3nnco3)c2)sc1Br
InChIInChI=1S/C14H10BrN3O2S/c1-8-5-11(21-12(8)15)13(19)17-10-4-2-3-9(6-10)14-18-16-7-20-14/h2-7H,1H3,(H,17,19)
InChIKeyABRCHNNKZGEORQ-UHFFFAOYSA-N
MW364.22 g/mol
LogP4.12
Rot. Bonds3

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

5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 79915544) has the molecular formula C14H10BrN3O2S and a molecular weight of 364.22 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID79915544
Molecular FormulaC14H10BrN3O2S
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC Name5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(-c3nnco3)c2)sc1Br
InChIInChI=1S/C14H10BrN3O2S/c1-8-5-11(21-12(8)15)13(19)17-10-4-2-3-9(6-10)14-18-16-7-20-14/h2-7H,1H3,(H,17,19)
InChIKeyABRCHNNKZGEORQ-UHFFFAOYSA-N
XLogP4.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 60732690
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
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
4,5-dibromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 55856132
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79914678
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
5-bromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 79989759
5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 79916381
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide (CID 79915544) is 5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccc(-c3nnco3)c2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is ABRCHNNKZGEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S/c1-8-5-11(21-12(8)15)13(19)17-10-4-2-3-9(6-10)14-18-16-7-20-14/h2-7H,1H3,(H,17,19).
What are the key properties of 5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 364.22 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 79915544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).