(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone

C23H20N4OS2 — CID 55429778

IUPAC(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C23H20N4OS2/c28-22(18-8-6-16(7-9-18)14-30-23-24-15-25-26-23)27-12-10-20-19(11-13-29-20)21(27)17-4-2-1-3-5-17/h1-9,11,13,15,21H,10,12,14H2,(H,24,25,26)
InChIKeyPKOCJBCYXJFOBS-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.95
Rot. Bonds5

About (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone

(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone (PubChem CID 55429778) has the molecular formula C23H20N4OS2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone
PubChem CID55429778
Molecular FormulaC23H20N4OS2
Molecular Weight432.57 g/mol
Exact Mass432.11
IUPAC Name(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C23H20N4OS2/c28-22(18-8-6-16(7-9-18)14-30-23-24-15-25-26-23)27-12-10-20-19(11-13-29-20)21(27)17-4-2-1-3-5-17/h1-9,11,13,15,21H,10,12,14H2,(H,24,25,26)
InChIKeyPKOCJBCYXJFOBS-UHFFFAOYSA-N
XLogP4.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(methylsulfanylmethyl)phenyl]-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429502
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46546069
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 101064481
(5,6-dichloro-3-pyridinyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245818
N-ethyl-4-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 33166182
4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one
CID 55986211
1-methyl-5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridin-2-one
CID 138556110
(2-pyridin-3-ylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone;dihydrochloride
CID 120731783
[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 51590141

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone?
The IUPAC name of (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone (CID 55429778) is (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone.
What is the SMILES notation for (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone?
The canonical SMILES for (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone is O=C(c1ccc(CSc2ncn[nH]2)cc1)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone?
The InChIKey is PKOCJBCYXJFOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS2/c28-22(18-8-6-16(7-9-18)14-30-23-24-15-25-26-23)27-12-10-20-19(11-13-29-20)21(27)17-4-2-1-3-5-17/h1-9,11,13,15,21H,10,12,14H2,(H,24,25,26).
What are the key properties of (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone?
(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone has a molecular weight of 432.57 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 55429778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).