2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc

C72H53N5O7S3Zn5 — CID 157303406

IUPAC2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc
SMILESCc1ccc(-c2nc3ccccc3o2)c(O)c1.Cc1ccc(-c2nc3ccccc3s2)c(O)c1.Cc1ccc2sc(-c3ccccc3O)nc2c1.Oc1cc2ccccc2cc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C17H11NO2.C14H11NO2.2C14H11NOS.C13H9NOS.5Zn/c19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;2*1-9-6-7-10(12(16)8-9)14-15-11-4-2-3-5-13(11)17-14;1-9-6-7-13-11(8-9)15-14(17-13)10-4-2-3-5-12(10)16;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;;;/h1-10,19H;3*2-8,16H,1H3;1-8,15H;;;;;
InChIKeyUNUXXWFYYQUYAZ-UHFFFAOYSA-N
MW1523.39 g/mol
LogP19.47
Rot. Bonds5

About 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc

2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc (PubChem CID 157303406) has the molecular formula C72H53N5O7S3Zn5 and a molecular weight of 1523.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc
PubChem CID157303406
Molecular FormulaC72H53N5O7S3Zn5
Molecular Weight1523.39 g/mol
Exact Mass1514.96
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc
SMILESCc1ccc(-c2nc3ccccc3o2)c(O)c1.Cc1ccc(-c2nc3ccccc3s2)c(O)c1.Cc1ccc2sc(-c3ccccc3O)nc2c1.Oc1cc2ccccc2cc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/C17H11NO2.C14H11NO2.2C14H11NOS.C13H9NOS.5Zn/c19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;2*1-9-6-7-10(12(16)8-9)14-15-11-4-2-3-5-13(11)17-14;1-9-6-7-13-11(8-9)15-14(17-13)10-4-2-3-5-12(10)16;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;;;/h1-10,19H;3*2-8,16H,1H3;1-8,15H;;;;;
InChIKeyUNUXXWFYYQUYAZ-UHFFFAOYSA-N
XLogP19.47
TPSA191.88 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001523.39
LogP ≤ 519.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc with MolForge

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Related Compounds

tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);zinc
CID 160581752
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013
dizinc;2-(1,3-benzothiazol-2-yl)benzenethiolate;2-(1,3-benzothiazol-2-yl)phenol;bis(2-(1,3-benzoxazol-2-yl)benzenethiolate);bis(2-(1,3-thiazol-2-yl)benzenethiolate);zinc
CID 159816353
2-(1H-benzimidazol-2-yl)-5-(diethylamino)-3-methylphenol;2-(1H-benzimidazol-2-yl)-5-methylaniline;2-(1H-benzimidazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol
CID 157081567
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
azane;2-(1,3-benzoxazol-2-yl)phenol;phenol;toluene
CID 160629799
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 136750938
2-(1,3-benzothiazol-2-yl)-5-methylbenzenethiol
CID 175383915

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc (CID 157303406) is 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc is Cc1ccc(-c2nc3ccccc3o2)c(O)c1.Cc1ccc(-c2nc3ccccc3s2)c(O)c1.Cc1ccc2sc(-c3ccccc3O)nc2c1.Oc1cc2ccccc2cc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc?
The InChIKey is UNUXXWFYYQUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2.C14H11NO2.2C14H11NOS.C13H9NOS.5Zn/c19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17;2*1-9-6-7-10(12(16)8-9)14-15-11-4-2-3-5-13(11)17-14;1-9-6-7-13-11(8-9)15-14(17-13)10-4-2-3-5-12(10)16;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;;;;/h1-10,19H;3*2-8,16H,1H3;1-8,15H;;;;;.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc?
2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc has a molecular weight of 1523.39 g/mol, XLogP of 19.47, 5 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5-methylphenol;2-(1,3-benzothiazol-2-yl)phenol;2-(1,3-benzoxazol-2-yl)-5-methylphenol;3-(1,3-benzoxazol-2-yl)naphthalen-2-ol;2-(5-methyl-1,3-benzothiazol-2-yl)phenol;zinc is sourced from PubChem (CID 157303406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).