2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one

C18H12N2O2S2 — CID 68977440

IUPAC2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(Nc2ccccc2Sc2ccccc2)nc2sccc12
InChIInChI=1S/C18H12N2O2S2/c21-17-13-10-11-23-16(13)20-18(22-17)19-14-8-4-5-9-15(14)24-12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeyVDGGWJJPRQXYBL-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.14
Rot. Bonds4

About 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one

2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one (PubChem CID 68977440) has the molecular formula C18H12N2O2S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
PubChem CID68977440
Molecular FormulaC18H12N2O2S2
Molecular Weight352.44 g/mol
Exact Mass352.03
IUPAC Name2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
SMILESO=c1oc(Nc2ccccc2Sc2ccccc2)nc2sccc12
InChIInChI=1S/C18H12N2O2S2/c21-17-13-10-11-23-16(13)20-18(22-17)19-14-8-4-5-9-15(14)24-12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIKeyVDGGWJJPRQXYBL-UHFFFAOYSA-N
XLogP5.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-benzylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 68979734
2-[(4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]-N-phenylbenzamide
CID 69027073
2-(4-phenoxysulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one
CID 59767735
2-propan-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 130611453
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 55482148
2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one
CID 132576398
2-[4-[3-(fluoromethyl)phenoxy]anilino]thieno[2,3-d][1,3]oxazin-4-one
CID 71021490
2-(hexadecylamino)thieno[2,3-d][1,3]oxazin-4-one
CID 10222144
N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108515122
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732727
2-propylthieno[2,3-d][1,3]oxazin-4-one
CID 130651588

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one?
The IUPAC name of 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one (CID 68977440) is 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one?
The canonical SMILES for 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one is O=c1oc(Nc2ccccc2Sc2ccccc2)nc2sccc12.
What is the InChIKey of 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one?
The InChIKey is VDGGWJJPRQXYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S2/c21-17-13-10-11-23-16(13)20-18(22-17)19-14-8-4-5-9-15(14)24-12-6-2-1-3-7-12/h1-11H,(H,19,20).
What are the key properties of 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one?
2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one has a molecular weight of 352.44 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylanilino)thieno[2,3-d][1,3]oxazin-4-one is sourced from PubChem (CID 68977440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).