2-methyl-4H-thieno[3,2-e]thiazin-3-one

C7H7NOS2 — CID 57315567

IUPAC2-methyl-4H-thieno[3,2-e]thiazin-3-one
SMILESCN1Sc2sccc2CC1=O
InChIInChI=1S/C7H7NOS2/c1-8-6(9)4-5-2-3-10-7(5)11-8/h2-3H,4H2,1H3
InChIKeyLFTMFTJXEKVOST-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.77
Rot. Bonds

About 2-methyl-4H-thieno[3,2-e]thiazin-3-one

2-methyl-4H-thieno[3,2-e]thiazin-3-one (PubChem CID 57315567) has the molecular formula C7H7NOS2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-4H-thieno[3,2-e]thiazin-3-one.

Molecular Properties

Compound Name2-methyl-4H-thieno[3,2-e]thiazin-3-one
PubChem CID57315567
Molecular FormulaC7H7NOS2
Molecular Weight185.27 g/mol
Exact Mass185.00
IUPAC Name2-methyl-4H-thieno[3,2-e]thiazin-3-one
SMILESCN1Sc2sccc2CC1=O
InChIInChI=1S/C7H7NOS2/c1-8-6(9)4-5-2-3-10-7(5)11-8/h2-3H,4H2,1H3
InChIKeyLFTMFTJXEKVOST-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-thieno[3,2-e]thiazin-3-one?
The IUPAC name of 2-methyl-4H-thieno[3,2-e]thiazin-3-one (CID 57315567) is 2-methyl-4H-thieno[3,2-e]thiazin-3-one.
What is the SMILES notation for 2-methyl-4H-thieno[3,2-e]thiazin-3-one?
The canonical SMILES for 2-methyl-4H-thieno[3,2-e]thiazin-3-one is CN1Sc2sccc2CC1=O.
What is the InChIKey of 2-methyl-4H-thieno[3,2-e]thiazin-3-one?
The InChIKey is LFTMFTJXEKVOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS2/c1-8-6(9)4-5-2-3-10-7(5)11-8/h2-3H,4H2,1H3.
What are the key properties of 2-methyl-4H-thieno[3,2-e]thiazin-3-one?
2-methyl-4H-thieno[3,2-e]thiazin-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-thieno[3,2-e]thiazin-3-one is sourced from PubChem (CID 57315567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).