5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C17H18F3NS — CID 57325761

IUPAC5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NS/c1-11(2)21-9-7-15-14(8-10-22-15)16(21)12-3-5-13(6-4-12)17(18,19)20/h3-6,8,10-11,16H,7,9H2,1-2H3
InChIKeyMZWUJUVHDZLGHX-UHFFFAOYSA-N
MW325.40 g/mol
LogP5.12
Rot. Bonds2

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

5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 57325761) has the molecular formula C17H18F3NS and a molecular weight of 325.40 g/mol. Its IUPAC name is 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID57325761
Molecular FormulaC17H18F3NS
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NS/c1-11(2)21-9-7-15-14(8-10-22-15)16(21)12-3-5-13(6-4-12)17(18,19)20/h3-6,8,10-11,16H,7,9H2,1-2H3
InChIKeyMZWUJUVHDZLGHX-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 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 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 57325761) is 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC(C)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is MZWUJUVHDZLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NS/c1-11(2)21-9-7-15-14(8-10-22-15)16(21)12-3-5-13(6-4-12)17(18,19)20/h3-6,8,10-11,16H,7,9H2,1-2H3.
What are the key properties of 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 325.40 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 57325761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).