2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one

C14H10N2OS2 — CID 81143321

IUPAC2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(-c3cnc4ccsc4c3)nc21
InChIInChI=1S/C14H10N2OS2/c17-10-2-1-3-11-13(10)16-14(19-11)8-6-12-9(15-7-8)4-5-18-12/h4-7H,1-3H2
InChIKeyVLTGORHKKBRNFN-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.94
Rot. Bonds1

About 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 81143321) has the molecular formula C14H10N2OS2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID81143321
Molecular FormulaC14H10N2OS2
Molecular Weight286.38 g/mol
Exact Mass286.02
IUPAC Name2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(-c3cnc4ccsc4c3)nc21
InChIInChI=1S/C14H10N2OS2/c17-10-2-1-3-11-13(10)16-14(19-11)8-6-12-9(15-7-8)4-5-18-12/h4-7H,1-3H2
InChIKeyVLTGORHKKBRNFN-UHFFFAOYSA-N
XLogP3.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 81143321) is 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one is O=C1CCCc2sc(-c3cnc4ccsc4c3)nc21.
What is the InChIKey of 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is VLTGORHKKBRNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS2/c17-10-2-1-3-11-13(10)16-14(19-11)8-6-12-9(15-7-8)4-5-18-12/h4-7H,1-3H2.
What are the key properties of 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 286.38 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 81143321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).