(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone

C16H14F3NOS — CID 2806299

IUPAC(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCC1c2ccsc2CCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NOS/c1-10-13-7-9-22-14(13)6-8-20(10)15(21)11-2-4-12(5-3-11)16(17,18)19/h2-5,7,9-10H,6,8H2,1H3
InChIKeyDJHBVHHVSXFAGV-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.53
Rot. Bonds1

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

(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 2806299) has the molecular formula C16H14F3NOS and a molecular weight of 325.36 g/mol. Its IUPAC name is (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID2806299
Molecular FormulaC16H14F3NOS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCC1c2ccsc2CCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NOS/c1-10-13-7-9-22-14(13)6-8-20(10)15(21)11-2-4-12(5-3-11)16(17,18)19/h2-5,7,9-10H,6,8H2,1H3
InChIKeyDJHBVHHVSXFAGV-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

Thiophene derivative, 3c
CID 25023797
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 15697378
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484611
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(2-thienyl)phenyl]ethane-1,2-dione
CID 44191363

Frequently Asked Questions

What is the IUPAC name of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 2806299) is (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone is CC1c2ccsc2CCN1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is DJHBVHHVSXFAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c1-10-13-7-9-22-14(13)6-8-20(10)15(21)11-2-4-12(5-3-11)16(17,18)19/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 325.36 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 2806299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).