2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one

C12H14N2OS2 — CID 3237764

IUPAC2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one
SMILESCC1CCCN(c2nc3ccsc3c(=O)s2)C1
InChIInChI=1S/C12H14N2OS2/c1-8-3-2-5-14(7-8)12-13-9-4-6-16-10(9)11(15)17-12/h4,6,8H,2-3,5,7H2,1H3
InChIKeyTXFLAQKJWVFTOH-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.95
Rot. Bonds1

About 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one

2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one (PubChem CID 3237764) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one
PubChem CID3237764
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one
SMILESCC1CCCN(c2nc3ccsc3c(=O)s2)C1
InChIInChI=1S/C12H14N2OS2/c1-8-3-2-5-14(7-8)12-13-9-4-6-16-10(9)11(15)17-12/h4,6,8H,2-3,5,7H2,1H3
InChIKeyTXFLAQKJWVFTOH-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one?
The IUPAC name of 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one (CID 3237764) is 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one is CC1CCCN(c2nc3ccsc3c(=O)s2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one?
The InChIKey is TXFLAQKJWVFTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-3-2-5-14(7-8)12-13-9-4-6-16-10(9)11(15)17-12/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one?
2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one has a molecular weight of 266.39 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)thieno[3,2-d][1,3]thiazin-4-one is sourced from PubChem (CID 3237764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).