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

C8H13NO2S — CID 12932468

IUPAC2-methoxy-4-propan-2-yl-1,4-thiazin-3-one
SMILESCOC1SC=CN(C(C)C)C1=O
InChIInChI=1S/C8H13NO2S/c1-6(2)9-4-5-12-8(11-3)7(9)10/h4-6,8H,1-3H3
InChIKeyGMGOIKGJXDCEOS-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.41
Rot. Bonds2

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

2-methoxy-4-propan-2-yl-1,4-thiazin-3-one (PubChem CID 12932468) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-methoxy-4-propan-2-yl-1,4-thiazin-3-one.

Molecular Properties

Compound Name2-methoxy-4-propan-2-yl-1,4-thiazin-3-one
PubChem CID12932468
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-methoxy-4-propan-2-yl-1,4-thiazin-3-one
SMILESCOC1SC=CN(C(C)C)C1=O
InChIInChI=1S/C8H13NO2S/c1-6(2)9-4-5-12-8(11-3)7(9)10/h4-6,8H,1-3H3
InChIKeyGMGOIKGJXDCEOS-UHFFFAOYSA-N
XLogP1.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-propan-2-yl-1,4-thiazin-3-one
CID 13117703
propan-2-yl (3S)-3-[acetyl-(2-methoxy-3-oxo-1,4-thiazin-4-yl)amino]-2-hydroxy-4-phenylbutanoate
CID 91033791
1,3,4-tri(propan-2-yl)-3H-azepin-2-one
CID 162282710
3-oxo-4-propan-2-yl-1,2-dihydropyrazine-2-carboxamide
CID 137411127
2-(3-oxo-2-propan-2-yl-1,4-thiazin-4-yl)acetic acid
CID 22284288
(5S)-6-ethyl-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 22837783
(5R,6E)-6-ethylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
CID 70448187
methyl (5R)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 154446667
(3R,4S)-4-(4-methoxyphenyl)-3-methyl-1-propan-2-ylazetidin-2-one
CID 101417373
(3R,4S)-3-methoxy-1-propan-2-yl-4-prop-1-en-2-ylazetidin-2-one
CID 101376903
3,4-dimethyl-1-propan-2-ylpyrrolidine-2,5-dione
CID 22957000
5-(4-chlorophenyl)-1-(2-methoxypropyl)-1,3-diazinane-2,4,6-trione
CID 102702116

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-propan-2-yl-1,4-thiazin-3-one?
The IUPAC name of 2-methoxy-4-propan-2-yl-1,4-thiazin-3-one (CID 12932468) is 2-methoxy-4-propan-2-yl-1,4-thiazin-3-one.
What is the SMILES notation for 2-methoxy-4-propan-2-yl-1,4-thiazin-3-one?
The canonical SMILES for 2-methoxy-4-propan-2-yl-1,4-thiazin-3-one is COC1SC=CN(C(C)C)C1=O.
What is the InChIKey of 2-methoxy-4-propan-2-yl-1,4-thiazin-3-one?
The InChIKey is GMGOIKGJXDCEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6(2)9-4-5-12-8(11-3)7(9)10/h4-6,8H,1-3H3.
What are the key properties of 2-methoxy-4-propan-2-yl-1,4-thiazin-3-one?
2-methoxy-4-propan-2-yl-1,4-thiazin-3-one has a molecular weight of 187.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-propan-2-yl-1,4-thiazin-3-one is sourced from PubChem (CID 12932468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).