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

C16H16ClNO2S — CID 15097005

IUPAC[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
SMILESCC(=O)Oc1cc2c(s1)CCN(Cc1ccccc1Cl)C2
InChIInChI=1S/C16H16ClNO2S/c1-11(19)20-16-8-13-10-18(7-6-15(13)21-16)9-12-4-2-3-5-14(12)17/h2-5,8H,6-7,9-10H2,1H3
InChIKeyBIAYXNKVGDOXRT-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.89
Rot. Bonds3

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

[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate (PubChem CID 15097005) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate.

Molecular Properties

Compound Name[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
PubChem CID15097005
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
SMILESCC(=O)Oc1cc2c(s1)CCN(Cc1ccccc1Cl)C2
InChIInChI=1S/C16H16ClNO2S/c1-11(19)20-16-8-13-10-18(7-6-15(13)21-16)9-12-4-2-3-5-14(12)17/h2-5,8H,6-7,9-10H2,1H3
InChIKeyBIAYXNKVGDOXRT-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
The IUPAC name of [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate (CID 15097005) is [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate.
What is the SMILES notation for [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
The canonical SMILES for [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate is CC(=O)Oc1cc2c(s1)CCN(Cc1ccccc1Cl)C2.
What is the InChIKey of [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
The InChIKey is BIAYXNKVGDOXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11(19)20-16-8-13-10-18(7-6-15(13)21-16)9-12-4-2-3-5-14(12)17/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate has a molecular weight of 321.83 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate is sourced from PubChem (CID 15097005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).