5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one

C11H9NO2S — CID 23278428

IUPAC5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one
SMILES[2H]c1cnc(-c2ccc(OC)cc2)sc1=O
InChIInChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)11-12-7-6-10(13)15-11/h2-7H,1H3/i6D
InChIKeyWZXOXEXJNLWKCB-RAMDWTOOSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds2

About 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one

5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one (PubChem CID 23278428) has the molecular formula C11H9NO2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one.

Molecular Properties

Compound Name5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one
PubChem CID23278428
Molecular FormulaC11H9NO2S
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one
SMILES[2H]c1cnc(-c2ccc(OC)cc2)sc1=O
InChIInChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)11-12-7-6-10(13)15-11/h2-7H,1H3/i6D
InChIKeyWZXOXEXJNLWKCB-RAMDWTOOSA-N
XLogP2.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 14531637
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 141143516
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887536
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile
CID 13472608
2-(4-methoxyphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975135
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 25247878
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 159377510

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one?
The IUPAC name of 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one (CID 23278428) is 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one.
What is the SMILES notation for 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one?
The canonical SMILES for 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one is [2H]c1cnc(-c2ccc(OC)cc2)sc1=O.
What is the InChIKey of 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one?
The InChIKey is WZXOXEXJNLWKCB-RAMDWTOOSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-14-9-4-2-8(3-5-9)11-12-7-6-10(13)15-11/h2-7H,1H3/i6D.
What are the key properties of 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one?
5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one has a molecular weight of 220.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-(4-methoxyphenyl)-1,3-thiazin-6-one is sourced from PubChem (CID 23278428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).