pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate

C15H13NO2S2 — CID 20913457

IUPACpyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate
SMILESCc1sc2c(c1C)CSC(C(=O)Oc1cccnc1)=C2
InChIInChI=1S/C15H13NO2S2/c1-9-10(2)20-13-6-14(19-8-12(9)13)15(17)18-11-4-3-5-16-7-11/h3-7H,8H2,1-2H3
InChIKeyNHWQWHRAKNMVQX-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.95
Rot. Bonds2

About pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate

pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate (PubChem CID 20913457) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate
PubChem CID20913457
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Namepyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate
SMILESCc1sc2c(c1C)CSC(C(=O)Oc1cccnc1)=C2
InChIInChI=1S/C15H13NO2S2/c1-9-10(2)20-13-6-14(19-8-12(9)13)15(17)18-11-4-3-5-16-7-11/h3-7H,8H2,1-2H3
InChIKeyNHWQWHRAKNMVQX-UHFFFAOYSA-N
XLogP3.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate?
The IUPAC name of pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate (CID 20913457) is pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate.
What is the SMILES notation for pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate?
The canonical SMILES for pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate is Cc1sc2c(c1C)CSC(C(=O)Oc1cccnc1)=C2.
What is the InChIKey of pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate?
The InChIKey is NHWQWHRAKNMVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-9-10(2)20-13-6-14(19-8-12(9)13)15(17)18-11-4-3-5-16-7-11/h3-7H,8H2,1-2H3.
What are the key properties of pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate?
pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carboxylate is sourced from PubChem (CID 20913457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).