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

C10H13NO2S — CID 118203485

IUPAC(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate
SMILESCC(=O)Oc1cc2c(s1)CCN(C)C2
InChIInChI=1S/C10H13NO2S/c1-7(12)13-10-5-8-6-11(2)4-3-9(8)14-10/h5H,3-4,6H2,1-2H3
InChIKeyMWRFKXXOINHRSD-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.66
Rot. Bonds1

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

(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate (PubChem CID 118203485) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate.

Molecular Properties

Compound Name(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate
PubChem CID118203485
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate
SMILESCC(=O)Oc1cc2c(s1)CCN(C)C2
InChIInChI=1S/C10H13NO2S/c1-7(12)13-10-5-8-6-11(2)4-3-9(8)14-10/h5H,3-4,6H2,1-2H3
InChIKeyMWRFKXXOINHRSD-UHFFFAOYSA-N
XLogP1.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate?
The IUPAC name of (5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate (CID 118203485) is (5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate.
What is the SMILES notation for (5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate?
The canonical SMILES for (5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate is CC(=O)Oc1cc2c(s1)CCN(C)C2.
What is the InChIKey of (5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate?
The InChIKey is MWRFKXXOINHRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(12)13-10-5-8-6-11(2)4-3-9(8)14-10/h5H,3-4,6H2,1-2H3.
What are the key properties of (5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate?
(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate has a molecular weight of 211.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate is sourced from PubChem (CID 118203485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).