1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one

C18H23N3O2S — CID 94631978

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc([C@@H]2CCCN2CCC(=O)N2CCc3sccc3C2)no1
InChIInChI=1S/C18H23N3O2S/c1-13-11-15(19-23-13)16-3-2-7-20(16)9-5-18(22)21-8-4-17-14(12-21)6-10-24-17/h6,10-11,16H,2-5,7-9,12H2,1H3/t16-/m0/s1
InChIKeyBQFPHEHQYUDSJK-INIZCTEOSA-N
MW345.47 g/mol
LogP3.16
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 94631978) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID94631978
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cc([C@@H]2CCCN2CCC(=O)N2CCc3sccc3C2)no1
InChIInChI=1S/C18H23N3O2S/c1-13-11-15(19-23-13)16-3-2-7-20(16)9-5-18(22)21-8-4-17-14(12-21)6-10-24-17/h6,10-11,16H,2-5,7-9,12H2,1H3/t16-/m0/s1
InChIKeyBQFPHEHQYUDSJK-INIZCTEOSA-N
XLogP3.16
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

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(2S)-1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]pyrrolidine-2-carboxylic acid;hydrochloride
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1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butane-1,4-dione
CID 146084705
2-[(2R)-2-benzylpyrrolidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 32665629
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120960893
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[3-(methylaminomethyl)piperidin-1-yl]butane-1,4-dione
CID 119397234
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CID 55870828
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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one (CID 94631978) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one is Cc1cc([C@@H]2CCCN2CCC(=O)N2CCc3sccc3C2)no1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is BQFPHEHQYUDSJK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-11-15(19-23-13)16-3-2-7-20(16)9-5-18(22)21-8-4-17-14(12-21)6-10-24-17/h6,10-11,16H,2-5,7-9,12H2,1H3/t16-/m0/s1.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 345.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 94631978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).