1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone

C18H16N2O2S2 — CID 75521054

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccccc1-c1nccs1)N1CCc2sccc2C1
InChIInChI=1S/C18H16N2O2S2/c21-17(20-8-5-16-13(11-20)6-9-23-16)12-22-15-4-2-1-3-14(15)18-19-7-10-24-18/h1-4,6-7,9-10H,5,8,11-12H2
InChIKeyQFCIDGQCZSJJPJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.84
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone (PubChem CID 75521054) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone
PubChem CID75521054
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccccc1-c1nccs1)N1CCc2sccc2C1
InChIInChI=1S/C18H16N2O2S2/c21-17(20-8-5-16-13(11-20)6-9-23-16)12-22-15-4-2-1-3-14(15)18-19-7-10-24-18/h1-4,6-7,9-10H,5,8,11-12H2
InChIKeyQFCIDGQCZSJJPJ-UHFFFAOYSA-N
XLogP3.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]benzamide
CID 17461255
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 55503060
N-[4-acetyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]acetamide
CID 17485447
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
2-(benzimidazol-1-yl)-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]ethanimidamide
CID 126812082
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 47018115
N-[3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616045
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18141906
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 55525249
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl] 3-indol-1-ylpropanoate
CID 18288032
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 24606123

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone (CID 75521054) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone is O=C(COc1ccccc1-c1nccs1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone?
The InChIKey is QFCIDGQCZSJJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c21-17(20-8-5-16-13(11-20)6-9-23-16)12-22-15-4-2-1-3-14(15)18-19-7-10-24-18/h1-4,6-7,9-10H,5,8,11-12H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone has a molecular weight of 356.47 g/mol, XLogP of 3.84, 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)-2-[2-(1,3-thiazol-2-yl)phenoxy]ethanone is sourced from PubChem (CID 75521054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).