1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone

C8H9NOS2 — CID 63379224

IUPAC1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone
SMILESCC(=O)c1nc2c(s1)CSCC2
InChIInChI=1S/C8H9NOS2/c1-5(10)8-9-6-2-3-11-4-7(6)12-8/h2-4H2,1H3
InChIKeyVALCRWGNONGTNH-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.13
Rot. Bonds1

About 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone

1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone (PubChem CID 63379224) has the molecular formula C8H9NOS2 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone
PubChem CID63379224
Molecular FormulaC8H9NOS2
Molecular Weight199.30 g/mol
Exact Mass199.01
IUPAC Name1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone
SMILESCC(=O)c1nc2c(s1)CSCC2
InChIInChI=1S/C8H9NOS2/c1-5(10)8-9-6-2-3-11-4-7(6)12-8/h2-4H2,1H3
InChIKeyVALCRWGNONGTNH-UHFFFAOYSA-N
XLogP2.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone (CID 63379224) is 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone is CC(=O)c1nc2c(s1)CSCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone?
The InChIKey is VALCRWGNONGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS2/c1-5(10)8-9-6-2-3-11-4-7(6)12-8/h2-4H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone?
1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone has a molecular weight of 199.30 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone is sourced from PubChem (CID 63379224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).