2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one

C12H10N2OS2 — CID 13117753

IUPAC2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one
SMILESCN(C)c1nc(=O)c2sc3ccccc3c2s1
InChIInChI=1S/C12H10N2OS2/c1-14(2)12-13-11(15)10-9(17-12)7-5-3-4-6-8(7)16-10/h3-6H,1-2H3
InChIKeyUXBNGSPFSDAVCW-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.94
Rot. Bonds1

About 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one

2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one (PubChem CID 13117753) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one
PubChem CID13117753
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one
SMILESCN(C)c1nc(=O)c2sc3ccccc3c2s1
InChIInChI=1S/C12H10N2OS2/c1-14(2)12-13-11(15)10-9(17-12)7-5-3-4-6-8(7)16-10/h3-6H,1-2H3
InChIKeyUXBNGSPFSDAVCW-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one?
The IUPAC name of 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one (CID 13117753) is 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one is CN(C)c1nc(=O)c2sc3ccccc3c2s1.
What is the InChIKey of 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one?
The InChIKey is UXBNGSPFSDAVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-14(2)12-13-11(15)10-9(17-12)7-5-3-4-6-8(7)16-10/h3-6H,1-2H3.
What are the key properties of 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one?
2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one has a molecular weight of 262.36 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-[1]benzothiolo[2,3-e][1,3]thiazin-4-one is sourced from PubChem (CID 13117753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).