3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide

C15H12BrN3OS — CID 114896603

IUPAC3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccncc1NC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C15H12BrN3OS/c1-8-4-5-18-7-11(8)19-15(20)14-13(17)10-6-9(16)2-3-12(10)21-14/h2-7H,17H2,1H3,(H,19,20)
InChIKeyXHTCXNYGYUXZCJ-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.20
Rot. Bonds2

About 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide

3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 114896603) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID114896603
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccncc1NC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C15H12BrN3OS/c1-8-4-5-18-7-11(8)19-15(20)14-13(17)10-6-9(16)2-3-12(10)21-14/h2-7H,17H2,1H3,(H,19,20)
InChIKeyXHTCXNYGYUXZCJ-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

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Related Compounds

3-amino-5-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1-benzothiophene-2-carboxamide
CID 114896813
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
2-amino-4-methyl-N-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 63327533
3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896388
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
3-amino-5-bromo-N-[(4-methylthiophen-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114896688
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
CID 103924957
3-amino-5-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896733
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide (CID 114896603) is 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide is Cc1ccncc1NC(=O)c1sc2ccc(Br)cc2c1N.
What is the InChIKey of 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XHTCXNYGYUXZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-8-4-5-18-7-11(8)19-15(20)14-13(17)10-6-9(16)2-3-12(10)21-14/h2-7H,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-(4-methyl-3-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 3-amino-5-bromo-N-(4-methyl-3-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).