2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C15H12ClF3N2OS — CID 122162070

IUPAC2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C15H12ClF3N2OS/c16-13-7-9-8-21(6-5-12(9)23-13)14(22)20-11-4-2-1-3-10(11)15(17,18)19/h1-4,7H,5-6,8H2,(H,20,22)
InChIKeyAWVOVBRPDNABAY-UHFFFAOYSA-N
MW360.79 g/mol
LogP5.01
Rot. Bonds1

About 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 122162070) has the molecular formula C15H12ClF3N2OS and a molecular weight of 360.79 g/mol. Its IUPAC name is 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID122162070
Molecular FormulaC15H12ClF3N2OS
Molecular Weight360.79 g/mol
Exact Mass360.03
IUPAC Name2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C15H12ClF3N2OS/c16-13-7-9-8-21(6-5-12(9)23-13)14(22)20-11-4-2-1-3-10(11)15(17,18)19/h1-4,7H,5-6,8H2,(H,20,22)
InChIKeyAWVOVBRPDNABAY-UHFFFAOYSA-N
XLogP5.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.79
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 122162070) is 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCc2sc(Cl)cc2C1.
What is the InChIKey of 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is AWVOVBRPDNABAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2OS/c16-13-7-9-8-21(6-5-12(9)23-13)14(22)20-11-4-2-1-3-10(11)15(17,18)19/h1-4,7H,5-6,8H2,(H,20,22).
What are the key properties of 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 360.79 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 122162070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).