2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one

C9H15NO2S — CID 13117703

IUPAC2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one
SMILESCCOC1SC=CN(C(C)C)C1=O
InChIInChI=1S/C9H15NO2S/c1-4-12-9-8(11)10(7(2)3)5-6-13-9/h5-7,9H,4H2,1-3H3
InChIKeyYYTSLQFQXWANTR-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.80
Rot. Bonds3

About 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one

2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one (PubChem CID 13117703) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one.

Molecular Properties

Compound Name2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one
PubChem CID13117703
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one
SMILESCCOC1SC=CN(C(C)C)C1=O
InChIInChI=1S/C9H15NO2S/c1-4-12-9-8(11)10(7(2)3)5-6-13-9/h5-7,9H,4H2,1-3H3
InChIKeyYYTSLQFQXWANTR-UHFFFAOYSA-N
XLogP1.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-propan-2-yl-1,4-thiazin-3-one
CID 12932468
5-chloro-3-ethoxy-3H-2-benzothiophen-1-one
CID 102444581
(5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 22837783
2-(3-oxo-2-propan-2-yl-1,4-thiazin-4-yl)acetic acid
CID 22284288
1,3,4-tri(propan-2-yl)-3H-azepin-2-one
CID 162282710
propan-2-yl (3S)-3-[acetyl-(2-methoxy-3-oxo-1,4-thiazin-4-yl)amino]-2-hydroxy-4-phenylbutanoate
CID 91033791
3-ethoxy-4-propan-2-yliminocyclobutane-1,2-dione
CID 102343500
3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide
CID 137411127
(5R)-5-ethoxypyrrolidin-2-one
CID 7098910
ethyl 2,2-dimethyl-4-oxo-1-propan-2-ylazetidine-3-carboxylate
CID 11310404
2-(4-chlorophenyl)-3-(1-ethoxypropan-2-yl)-5-ethylimidazolidin-4-one
CID 83245870
(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide
CID 94211690

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one?
The IUPAC name of 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one (CID 13117703) is 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one.
What is the SMILES notation for 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one?
The canonical SMILES for 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one is CCOC1SC=CN(C(C)C)C1=O.
What is the InChIKey of 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one?
The InChIKey is YYTSLQFQXWANTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-12-9-8(11)10(7(2)3)5-6-13-9/h5-7,9H,4H2,1-3H3.
What are the key properties of 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one?
2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one has a molecular weight of 201.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one is sourced from PubChem (CID 13117703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).