2-anilinothieno[3,2-d][1,3]thiazin-4-one

C12H8N2OS2 — CID 3239546

IUPAC2-anilinothieno[3,2-d][1,3]thiazin-4-one
SMILESO=c1sc(Nc2ccccc2)nc2ccsc12
InChIInChI=1S/C12H8N2OS2/c15-11-10-9(6-7-16-10)14-12(17-11)13-8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKeySPBAOJXNJONGSC-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.46
Rot. Bonds2

About 2-anilinothieno[3,2-d][1,3]thiazin-4-one

2-anilinothieno[3,2-d][1,3]thiazin-4-one (PubChem CID 3239546) has the molecular formula C12H8N2OS2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-anilinothieno[3,2-d][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-anilinothieno[3,2-d][1,3]thiazin-4-one
PubChem CID3239546
Molecular FormulaC12H8N2OS2
Molecular Weight260.34 g/mol
Exact Mass260.01
IUPAC Name2-anilinothieno[3,2-d][1,3]thiazin-4-one
SMILESO=c1sc(Nc2ccccc2)nc2ccsc12
InChIInChI=1S/C12H8N2OS2/c15-11-10-9(6-7-16-10)14-12(17-11)13-8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKeySPBAOJXNJONGSC-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 6460856
2-Ethylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8110222
2-(4-Oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 16279645
2-(Methyl(phenyl)amino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3243363
2-(N-ethyl-3-methylanilino)thieno[3,2-d][1,3]thiazin-4-one
CID 9551123
2-[4-(4-Fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
CID 9550688
2-(Benzylsulfanyl)thieno[3,2-d]pyrimidin-4-ol
CID 135439659
2-[4-(2-Fluorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
CID 5308998
3-Phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
CID 8899177
2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 8899214
2-Anilino-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118724077
2-(6-Ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 800250

Frequently Asked Questions

What is the IUPAC name of 2-anilinothieno[3,2-d][1,3]thiazin-4-one?
The IUPAC name of 2-anilinothieno[3,2-d][1,3]thiazin-4-one (CID 3239546) is 2-anilinothieno[3,2-d][1,3]thiazin-4-one.
What is the SMILES notation for 2-anilinothieno[3,2-d][1,3]thiazin-4-one?
The canonical SMILES for 2-anilinothieno[3,2-d][1,3]thiazin-4-one is O=c1sc(Nc2ccccc2)nc2ccsc12.
What is the InChIKey of 2-anilinothieno[3,2-d][1,3]thiazin-4-one?
The InChIKey is SPBAOJXNJONGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS2/c15-11-10-9(6-7-16-10)14-12(17-11)13-8-4-2-1-3-5-8/h1-7H,(H,13,14).
What are the key properties of 2-anilinothieno[3,2-d][1,3]thiazin-4-one?
2-anilinothieno[3,2-d][1,3]thiazin-4-one has a molecular weight of 260.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinothieno[3,2-d][1,3]thiazin-4-one is sourced from PubChem (CID 3239546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).