[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone

C21H29N3O2S — CID 118770407

IUPAC[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2
InChIInChI=1S/C21H29N3O2S/c1-4-16-7-5-6-9-24(16)21(25)19-13-27-20-12-23(10-8-17(19)20)11-18-14(2)22-26-15(18)3/h13,16H,4-12H2,1-3H3
InChIKeyBNSNHFPPNFYYLG-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.32
Rot. Bonds4

About [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone

[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 118770407) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID118770407
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2
InChIInChI=1S/C21H29N3O2S/c1-4-16-7-5-6-9-24(16)21(25)19-13-27-20-12-23(10-8-17(19)20)11-18-14(2)22-26-15(18)3/h13,16H,4-12H2,1-3H3
InChIKeyBNSNHFPPNFYYLG-UHFFFAOYSA-N
XLogP4.32
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 118770175
N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118795787
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 126438653
(2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone
CID 118783962
N-[(3R)-1-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 126431122
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118765062
N-[(2R)-1-amino-1-oxobutan-2-yl]-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126434514
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118794354
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 126444514
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118788721
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-oxopiperidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118765255
N-[(2S)-4-amino-4-oxobutan-2-yl]-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126423746

Frequently Asked Questions

What is the IUPAC name of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone (CID 118770407) is [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2.
What is the InChIKey of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is BNSNHFPPNFYYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-4-16-7-5-6-9-24(16)21(25)19-13-27-20-12-23(10-8-17(19)20)11-18-14(2)22-26-15(18)3/h13,16H,4-12H2,1-3H3.
What are the key properties of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone?
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 387.55 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 118770407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).