[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate

C14H15NO2S2 — CID 72945191

IUPAC[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
SMILESCC(=O)Oc1cc2c(s1)CCN(Cc1cccs1)C2
InChIInChI=1S/C14H15NO2S2/c1-10(16)17-14-7-11-8-15(5-4-13(11)19-14)9-12-3-2-6-18-12/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyPFJWVHFTNVLHMY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.29
Rot. Bonds3

About [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate

[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate (PubChem CID 72945191) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate.

Molecular Properties

Compound Name[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
PubChem CID72945191
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
SMILESCC(=O)Oc1cc2c(s1)CCN(Cc1cccs1)C2
InChIInChI=1S/C14H15NO2S2/c1-10(16)17-14-7-11-8-15(5-4-13(11)19-14)9-12-3-2-6-18-12/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyPFJWVHFTNVLHMY-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate with MolForge

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Related Compounds

[5-[(2-chloro-6-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
CID 56949373
(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate
CID 118203485
[5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
CID 56968273
[5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
CID 171381090
[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate
CID 56949381
2-(2-acetyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-chlorophenyl)acetic acid;hydrochloride
CID 71082518
methyl (2R)-2-(2-acetyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-chlorophenyl)acetate
CID 57387803
[5-[(2-fluoro-4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] butanoate
CID 56949387
3-[4-[[3-[(2-acetyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
CID 122511148
[5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
CID 51371330
[5-[1-(2-fluorophenyl)-5-iodo-2-oxopentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
CID 139306012
[5-[(1R)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
CID 73416264

Frequently Asked Questions

What is the IUPAC name of [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
The IUPAC name of [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate (CID 72945191) is [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate.
What is the SMILES notation for [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
The canonical SMILES for [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate is CC(=O)Oc1cc2c(s1)CCN(Cc1cccs1)C2.
What is the InChIKey of [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
The InChIKey is PFJWVHFTNVLHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-10(16)17-14-7-11-8-15(5-4-13(11)19-14)9-12-3-2-6-18-12/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate has a molecular weight of 293.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate is sourced from PubChem (CID 72945191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).