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

C19H12F3N3OS — CID 23581992

IUPAC1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide
SMILESNC(=O)c1cnc(N)c2c1sc1cc(-c3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)11-4-1-9(2-5-11)10-3-6-12-14(7-10)27-16-13(18(24)26)8-25-17(23)15(12)16/h1-8H,(H2,23,25)(H2,24,26)
InChIKeyVCJSPSMBPYBQCN-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.82
Rot. Bonds2

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

1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide (PubChem CID 23581992) has the molecular formula C19H12F3N3OS and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide
PubChem CID23581992
Molecular FormulaC19H12F3N3OS
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide
SMILESNC(=O)c1cnc(N)c2c1sc1cc(-c3ccc(C(F)(F)F)cc3)ccc12
InChIInChI=1S/C19H12F3N3OS/c20-19(21,22)11-4-1-9(2-5-11)10-3-6-12-14(7-10)27-16-13(18(24)26)8-25-17(23)15(12)16/h1-8H,(H2,23,25)(H2,24,26)
InChIKeyVCJSPSMBPYBQCN-UHFFFAOYSA-N
XLogP4.82
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of 1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide (CID 23581992) is 1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for 1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide is NC(=O)c1cnc(N)c2c1sc1cc(-c3ccc(C(F)(F)F)cc3)ccc12.
What is the InChIKey of 1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide?
The InChIKey is VCJSPSMBPYBQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3OS/c20-19(21,22)11-4-1-9(2-5-11)10-3-6-12-14(7-10)27-16-13(18(24)26)8-25-17(23)15(12)16/h1-8H,(H2,23,25)(H2,24,26).
What are the key properties of 1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide?
1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 23581992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).