5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

C15H12BrN3OS — CID 83165753

IUPAC5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C15H12BrN3OS/c1-8-4-10(16)7-18-14(8)19-15(20)13-6-9-5-11(17)2-3-12(9)21-13/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeyVTCLINGKYJHEMU-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.20
Rot. Bonds2

About 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide

5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 83165753) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID83165753
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C15H12BrN3OS/c1-8-4-10(16)7-18-14(8)19-15(20)13-6-9-5-11(17)2-3-12(9)21-13/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeyVTCLINGKYJHEMU-UHFFFAOYSA-N
XLogP4.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 61094116
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 83167163
5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 61113003
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414
5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 61393369
methyl 5-[(5-amino-1-benzothiophene-2-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 155017798
5-amino-N-(2-bromo-3-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 103477175
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
N-(4-aminophenyl)-1-benzothiophene-2-carboxamide
CID 22612941
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 83165753) is 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1cc(Br)cnc1NC(=O)c1cc2cc(N)ccc2s1.
What is the InChIKey of 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is VTCLINGKYJHEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-8-4-10(16)7-18-14(8)19-15(20)13-6-9-5-11(17)2-3-12(9)21-13/h2-7H,17H2,1H3,(H,18,19,20).
What are the key properties of 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 83165753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).