1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide

C13H8F3N3OS — CID 23582060

IUPAC1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide
SMILESNC(=O)c1cnc(N)c2c1sc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C13H8F3N3OS/c14-13(15,16)5-1-2-6-8(3-5)21-10-7(12(18)20)4-19-11(17)9(6)10/h1-4H,(H2,17,19)(H2,18,20)
InChIKeyHXJIPGJVWHXVAH-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.15
Rot. Bonds1

About 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide

1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide (PubChem CID 23582060) has the molecular formula C13H8F3N3OS and a molecular weight of 311.29 g/mol. Its IUPAC name is 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide
PubChem CID23582060
Molecular FormulaC13H8F3N3OS
Molecular Weight311.29 g/mol
Exact Mass311.03
IUPAC Name1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide
SMILESNC(=O)c1cnc(N)c2c1sc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C13H8F3N3OS/c14-13(15,16)5-1-2-6-8(3-5)21-10-7(12(18)20)4-19-11(17)9(6)10/h1-4H,(H2,17,19)(H2,18,20)
InChIKeyHXJIPGJVWHXVAH-UHFFFAOYSA-N
XLogP3.15
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide (CID 23582060) is 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide is NC(=O)c1cnc(N)c2c1sc1cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide?
The InChIKey is HXJIPGJVWHXVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3OS/c14-13(15,16)5-1-2-6-8(3-5)21-10-7(12(18)20)4-19-11(17)9(6)10/h1-4H,(H2,17,19)(H2,18,20).
What are the key properties of 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide?
1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-(trifluoromethyl)-[1]benzothiolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 23582060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).