3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide

C15H9BrF3N3OS — CID 155201853

IUPAC3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Br)cc2)sc2cnc(C(F)(F)F)cc12
InChIInChI=1S/C15H9BrF3N3OS/c16-7-1-3-8(4-2-7)22-14(23)13-12(20)9-5-11(15(17,18)19)21-6-10(9)24-13/h1-6H,20H2,(H,22,23)
InChIKeyCQADKLLOBYRYIG-UHFFFAOYSA-N
MW416.22 g/mol
LogP4.91
Rot. Bonds2

About 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 155201853) has the molecular formula C15H9BrF3N3OS and a molecular weight of 416.22 g/mol. Its IUPAC name is 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID155201853
Molecular FormulaC15H9BrF3N3OS
Molecular Weight416.22 g/mol
Exact Mass414.96
IUPAC Name3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Br)cc2)sc2cnc(C(F)(F)F)cc12
InChIInChI=1S/C15H9BrF3N3OS/c16-7-1-3-8(4-2-7)22-14(23)13-12(20)9-5-11(15(17,18)19)21-6-10(9)24-13/h1-6H,20H2,(H,22,23)
InChIKeyCQADKLLOBYRYIG-UHFFFAOYSA-N
XLogP4.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide (CID 155201853) is 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(Br)cc2)sc2cnc(C(F)(F)F)cc12.
What is the InChIKey of 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is CQADKLLOBYRYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N3OS/c16-7-1-3-8(4-2-7)22-14(23)13-12(20)9-5-11(15(17,18)19)21-6-10(9)24-13/h1-6H,20H2,(H,22,23).
What are the key properties of 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 416.22 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromophenyl)-5-(trifluoromethyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155201853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).