5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one

C8H6N2O2S2 — CID 139684893

IUPAC5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one
SMILESCc1csc(=O)c(Sc2ncco2)n1
InChIInChI=1S/C8H6N2O2S2/c1-5-4-13-7(11)6(10-5)14-8-9-2-3-12-8/h2-4H,1H3
InChIKeySJIDMBCJHDPSFM-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.95
Rot. Bonds2

About 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one

5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one (PubChem CID 139684893) has the molecular formula C8H6N2O2S2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one.

Molecular Properties

Compound Name5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one
PubChem CID139684893
Molecular FormulaC8H6N2O2S2
Molecular Weight226.28 g/mol
Exact Mass225.99
IUPAC Name5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one
SMILESCc1csc(=O)c(Sc2ncco2)n1
InChIInChI=1S/C8H6N2O2S2/c1-5-4-13-7(11)6(10-5)14-8-9-2-3-12-8/h2-4H,1H3
InChIKeySJIDMBCJHDPSFM-UHFFFAOYSA-N
XLogP1.95
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 106923649
N,5-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928309
4-methyl-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 114044840
N-ethyl-5-methyl-4-(1,3-oxazol-2-ylsulfanyl)pyrimidin-2-amine
CID 106928372
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
2-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926336
N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 106926520
[3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine
CID 106923672
2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 106928299
2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 172684469
2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 106928161
2-methyl-N-[[5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 106926551

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one?
The IUPAC name of 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one (CID 139684893) is 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one.
What is the SMILES notation for 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one?
The canonical SMILES for 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one is Cc1csc(=O)c(Sc2ncco2)n1.
What is the InChIKey of 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one?
The InChIKey is SJIDMBCJHDPSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S2/c1-5-4-13-7(11)6(10-5)14-8-9-2-3-12-8/h2-4H,1H3.
What are the key properties of 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one?
5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one has a molecular weight of 226.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,3-oxazol-2-ylsulfanyl)-1,4-thiazin-2-one is sourced from PubChem (CID 139684893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).