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

C18H20F3NS — CID 57325762

IUPAC5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)CN1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NS/c1-12(2)11-22-9-7-16-15(8-10-23-16)17(22)13-3-5-14(6-4-13)18(19,20)21/h3-6,8,10,12,17H,7,9,11H2,1-2H3
InChIKeyFXJIMUOQXGWOMU-UHFFFAOYSA-N
MW339.43 g/mol
LogP5.37
Rot. Bonds3

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

5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 57325762) has the molecular formula C18H20F3NS and a molecular weight of 339.43 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID57325762
Molecular FormulaC18H20F3NS
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(C)CN1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NS/c1-12(2)11-22-9-7-16-15(8-10-23-16)17(22)13-3-5-14(6-4-13)18(19,20)21/h3-6,8,10,12,17H,7,9,11H2,1-2H3
InChIKeyFXJIMUOQXGWOMU-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
2-(4-(propan-2-yl)phenyl)-2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 43180384
4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975
3-ethyl-6-[(2-fluorophenyl)methyl]-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 16028485
4-(4-fluorophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54581760
2,6-diethyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584689
(4S,9aS)-4-phenyl-4,5,7,8,9,9a-hexahydrothieno[2,3-g]indolizine;hydrobromide
CID 54584696
2,6-dimethyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54586592
N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325846

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 57325762) is 5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC(C)CN1CCc2sccc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is FXJIMUOQXGWOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NS/c1-12(2)11-22-9-7-16-15(8-10-23-16)17(22)13-3-5-14(6-4-13)18(19,20)21/h3-6,8,10,12,17H,7,9,11H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 339.43 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 57325762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).