4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione

C19H22N4S2 — CID 9321608

IUPAC4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione
SMILESCc1ccccc1-c1nn(CN2CCc3sccc3[C@@H]2C)c(=S)n1C
InChIInChI=1S/C19H22N4S2/c1-13-6-4-5-7-15(13)18-20-23(19(24)21(18)3)12-22-10-8-17-16(14(22)2)9-11-25-17/h4-7,9,11,14H,8,10,12H2,1-3H3/t14-/m0/s1
InChIKeyFYZDPGARGYTZOJ-AWEZNQCLSA-N
MW370.55 g/mol
LogP4.56
Rot. Bonds3

About 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione

4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione (PubChem CID 9321608) has the molecular formula C19H22N4S2 and a molecular weight of 370.55 g/mol. Its IUPAC name is 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione
PubChem CID9321608
Molecular FormulaC19H22N4S2
Molecular Weight370.55 g/mol
Exact Mass370.13
IUPAC Name4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione
SMILESCc1ccccc1-c1nn(CN2CCc3sccc3[C@@H]2C)c(=S)n1C
InChIInChI=1S/C19H22N4S2/c1-13-6-4-5-7-15(13)18-20-23(19(24)21(18)3)12-22-10-8-17-16(14(22)2)9-11-25-17/h4-7,9,11,14H,8,10,12H2,1-3H3/t14-/m0/s1
InChIKeyFYZDPGARGYTZOJ-AWEZNQCLSA-N
XLogP4.56
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione with MolForge

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Related Compounds

2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole-3-thione
CID 9322749
4-methyl-5-(2-methylphenyl)-2-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-1,2,4-triazole-3-thione
CID 9321604
2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione
CID 40686903
2-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-thione
CID 9321146
5-benzyl-3-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole-2-thione
CID 9321348
2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione
CID 9322950
1-methyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione
CID 9321046
5-(2-chlorophenyl)-2-[[(4R)-4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
CID 9320854
1-(4-methoxyphenyl)-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]tetrazole-5-thione
CID 9321093
5-(2-chlorophenyl)-2-[[(4S)-4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
CID 9322986
2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one
CID 42889483
5,6-dimethyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-oxopyridazine-4-carbonitrile
CID 9321756

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione?
The IUPAC name of 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione (CID 9321608) is 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione.
What is the SMILES notation for 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione?
The canonical SMILES for 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione is Cc1ccccc1-c1nn(CN2CCc3sccc3[C@@H]2C)c(=S)n1C.
What is the InChIKey of 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione?
The InChIKey is FYZDPGARGYTZOJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4S2/c1-13-6-4-5-7-15(13)18-20-23(19(24)21(18)3)12-22-10-8-17-16(14(22)2)9-11-25-17/h4-7,9,11,14H,8,10,12H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione?
4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione has a molecular weight of 370.55 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione is sourced from PubChem (CID 9321608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).