1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione

C16H17N3S3 — CID 9325118

IUPAC1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione
SMILESCn1ccn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S
InChIInChI=1S/C16H17N3S3/c1-17-7-8-19(16(17)20)11-18-6-4-13-12(5-10-22-13)15(18)14-3-2-9-21-14/h2-3,5,7-10,15H,4,6,11H2,1H3/t15-/m1/s1
InChIKeySKYGHWIWVDSTQA-OAHLLOKOSA-N
MW347.53 g/mol
LogP4.28
Rot. Bonds3

About 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione

1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione (PubChem CID 9325118) has the molecular formula C16H17N3S3 and a molecular weight of 347.53 g/mol. Its IUPAC name is 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione.

Molecular Properties

Compound Name1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione
PubChem CID9325118
Molecular FormulaC16H17N3S3
Molecular Weight347.53 g/mol
Exact Mass347.06
IUPAC Name1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione
SMILESCn1ccn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S
InChIInChI=1S/C16H17N3S3/c1-17-7-8-19(16(17)20)11-18-6-4-13-12(5-10-22-13)15(18)14-3-2-9-21-14/h2-3,5,7-10,15H,4,6,11H2,1H3/t15-/m1/s1
InChIKeySKYGHWIWVDSTQA-OAHLLOKOSA-N
XLogP4.28
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

1-methyl-3-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione
CID 9321046
5-butyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 75853568
5-thiophen-2-yl-2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1H-1,2,4-triazole-3-thione
CID 51568408
5-cyclopropyl-4-prop-2-enyl-2-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-triazole-3-thione
CID 17461382
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
N-phenyl-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128634
1-(azocan-1-yl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9129368
N-benzyl-N-methyl-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412408
1-morpholin-4-yl-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 42962076
5-[(3-methylpyrrolidin-3-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 120897760
5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 24513127

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione?
The IUPAC name of 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione (CID 9325118) is 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione.
What is the SMILES notation for 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione?
The canonical SMILES for 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione is Cn1ccn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S.
What is the InChIKey of 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione?
The InChIKey is SKYGHWIWVDSTQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3S3/c1-17-7-8-19(16(17)20)11-18-6-4-13-12(5-10-22-13)15(18)14-3-2-9-21-14/h2-3,5,7-10,15H,4,6,11H2,1H3/t15-/m1/s1.
What are the key properties of 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione?
1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione has a molecular weight of 347.53 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazole-2-thione is sourced from PubChem (CID 9325118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).