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

C16H17NOS — CID 8948806

IUPAC[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1
InChIInChI=1S/C16H17NOS/c1-11-3-5-13(6-4-11)16(18)17-9-7-15-14(12(17)2)8-10-19-15/h3-6,8,10,12H,7,9H2,1-2H3/t12-/m0/s1
InChIKeyJHVHPULEKJFNBU-LBPRGKRZSA-N
MW271.39 g/mol
LogP3.82
Rot. Bonds1

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

[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone (PubChem CID 8948806) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
PubChem CID8948806
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1
InChIInChI=1S/C16H17NOS/c1-11-3-5-13(6-4-11)16(18)17-9-7-15-14(12(17)2)8-10-19-15/h3-6,8,10,12H,7,9H2,1-2H3/t12-/m0/s1
InChIKeyJHVHPULEKJFNBU-LBPRGKRZSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 8948835
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 95350854
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-nitrophenyl)methanone
CID 8948751
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 8949501
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 55567185
(2-hydroxy-5-methylphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 60701291
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 32691507
(4-fluorophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7286434
(4-bromophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7364624

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone?
The IUPAC name of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone (CID 8948806) is [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1.
What is the InChIKey of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone?
The InChIKey is JHVHPULEKJFNBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-3-5-13(6-4-11)16(18)17-9-7-15-14(12(17)2)8-10-19-15/h3-6,8,10,12H,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone?
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone has a molecular weight of 271.39 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 8948806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).