2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one

C14H12N2OS2 — CID 3239036

IUPAC2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one
SMILESCCN(c1ccccc1)c1nc2ccsc2c(=O)s1
InChIInChI=1S/C14H12N2OS2/c1-2-16(10-6-4-3-5-7-10)14-15-11-8-9-18-12(11)13(17)19-14/h3-9H,2H2,1H3
InChIKeyNFCRWKNWRAOKQC-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.88
Rot. Bonds3

About 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one

2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one (PubChem CID 3239036) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one
PubChem CID3239036
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one
SMILESCCN(c1ccccc1)c1nc2ccsc2c(=O)s1
InChIInChI=1S/C14H12N2OS2/c1-2-16(10-6-4-3-5-7-10)14-15-11-8-9-18-12(11)13(17)19-14/h3-9H,2H2,1H3
InChIKeyNFCRWKNWRAOKQC-UHFFFAOYSA-N
XLogP3.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
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-(phenylamino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3239546
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
N-methyl-N-phenyl-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2642310
3-Butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 3239592
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

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one?
The IUPAC name of 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one (CID 3239036) is 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one.
What is the SMILES notation for 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one?
The canonical SMILES for 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one is CCN(c1ccccc1)c1nc2ccsc2c(=O)s1.
What is the InChIKey of 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one?
The InChIKey is NFCRWKNWRAOKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-2-16(10-6-4-3-5-7-10)14-15-11-8-9-18-12(11)13(17)19-14/h3-9H,2H2,1H3.
What are the key properties of 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one?
2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one has a molecular weight of 288.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)thieno[3,2-d][1,3]thiazin-4-one is sourced from PubChem (CID 3239036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).