[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

C16H15N3O2S — CID 38093884

IUPAC[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCc4sccc4[C@@H]3C)cc12
InChIInChI=1S/C16H15N3O2S/c1-9-13-7-11(8-17-15(13)21-18-9)16(20)19-5-3-14-12(10(19)2)4-6-22-14/h4,6-8,10H,3,5H2,1-2H3/t10-/m0/s1
InChIKeyDRSGDHSAZZVBBN-JTQLQIEISA-N
MW313.38 g/mol
LogP3.35
Rot. Bonds1

About [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 38093884) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID38093884
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CCc4sccc4[C@@H]3C)cc12
InChIInChI=1S/C16H15N3O2S/c1-9-13-7-11(8-17-15(13)21-18-9)16(20)19-5-3-14-12(10(19)2)4-6-22-14/h4,6-8,10H,3,5H2,1-2H3/t10-/m0/s1
InChIKeyDRSGDHSAZZVBBN-JTQLQIEISA-N
XLogP3.35
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (CID 38093884) is [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is Cc1noc2ncc(C(=O)N3CCc4sccc4[C@@H]3C)cc12.
What is the InChIKey of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is DRSGDHSAZZVBBN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-9-13-7-11(8-17-15(13)21-18-9)16(20)19-5-3-14-12(10(19)2)4-6-22-14/h4,6-8,10H,3,5H2,1-2H3/t10-/m0/s1.
What are the key properties of [(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 313.38 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 38093884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).