1H-azirine;2-(1,3-benzothiazol-2-yl)phenol

C15H12N2OS — CID 174888047

IUPAC1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
SMILESC1=CN1.Oc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C13H9NOS.C2H3N/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;1-2-3-1/h1-8,15H;1-3H
InChIKeyCUHQWJOIFNLYIV-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.73
Rot. Bonds1

About 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol

1H-azirine;2-(1,3-benzothiazol-2-yl)phenol (PubChem CID 174888047) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
PubChem CID174888047
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
SMILESC1=CN1.Oc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C13H9NOS.C2H3N/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;1-2-3-1/h1-8,15H;1-3H
InChIKeyCUHQWJOIFNLYIV-UHFFFAOYSA-N
XLogP3.73
TPSA55.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123
tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);zinc
CID 160581752
3-(1,3-benzothiazol-2-yl)-4-hydroxybenzoic acid
CID 141481149
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
4-(1,3-benzothiazol-2-yl)-3-chlorobenzene-1,2-diol
CID 972656
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
4-[3-(1,3-benzothiazol-2-yl)-2-hydroxyphenyl]benzene-1,2-diol
CID 176656530
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol
CID 141250779
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107
[2-(1,3-benzothiazol-2-yl)phenyl]-(4-fluorophenyl)methanone
CID 132514009

Frequently Asked Questions

What is the IUPAC name of 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol (CID 174888047) is 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol is C1=CN1.Oc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol?
The InChIKey is CUHQWJOIFNLYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS.C2H3N/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;1-2-3-1/h1-8,15H;1-3H.
What are the key properties of 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol?
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol has a molecular weight of 268.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azirine;2-(1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 174888047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).