2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol

C21H20N2O2S — CID 140728495

IUPAC2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol
SMILESCC1=C(C)N(c2ccc(-c3nc4ccccc4s3)c(O)c2)C(C)=C(C)O1
InChIInChI=1S/C21H20N2O2S/c1-12-14(3)25-15(4)13(2)23(12)16-9-10-17(19(24)11-16)21-22-18-7-5-6-8-20(18)26-21/h5-11,24H,1-4H3
InChIKeyPZOSMOQDTWKPPZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP6.01
Rot. Bonds2

About 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol

2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol (PubChem CID 140728495) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol
PubChem CID140728495
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol
SMILESCC1=C(C)N(c2ccc(-c3nc4ccccc4s3)c(O)c2)C(C)=C(C)O1
InChIInChI=1S/C21H20N2O2S/c1-12-14(3)25-15(4)13(2)23(12)16-9-10-17(19(24)11-16)21-22-18-7-5-6-8-20(18)26-21/h5-11,24H,1-4H3
InChIKeyPZOSMOQDTWKPPZ-UHFFFAOYSA-N
XLogP6.01
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
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2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
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4-(1,3-benzothiazol-2-yl)-3-chlorobenzene-1,2-diol
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2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
2-(2-methylfuran-3-yl)-1,3-benzothiazole
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CID 163587218
3-(1,3-benzothiazol-2-yl)-4-hydroxybenzoic acid
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4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
2-[[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]methylidene]propanedinitrile
CID 163947507

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol (CID 140728495) is 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol is CC1=C(C)N(c2ccc(-c3nc4ccccc4s3)c(O)c2)C(C)=C(C)O1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol?
The InChIKey is PZOSMOQDTWKPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-12-14(3)25-15(4)13(2)23(12)16-9-10-17(19(24)11-16)21-22-18-7-5-6-8-20(18)26-21/h5-11,24H,1-4H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol?
2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol has a molecular weight of 364.47 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5-(2,3,5,6-tetramethyl-1,4-oxazin-4-yl)phenol is sourced from PubChem (CID 140728495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).