2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol

C18H12N2O2S — CID 728477

IUPAC2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol
SMILESOc1ccc2ccccc2c1C=Nc1nc2c(O)cccc2s1
InChIInChI=1S/C18H12N2O2S/c21-14-9-8-11-4-1-2-5-12(11)13(14)10-19-18-20-17-15(22)6-3-7-16(17)23-18/h1-10,21-22H
InChIKeyDTEBBJIEEYVVNJ-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.61
Rot. Bonds2

About 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol

2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol (PubChem CID 728477) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol
PubChem CID728477
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol
SMILESOc1ccc2ccccc2c1C=Nc1nc2c(O)cccc2s1
InChIInChI=1S/C18H12N2O2S/c21-14-9-8-11-4-1-2-5-12(11)13(14)10-19-18-20-17-15(22)6-3-7-16(17)23-18/h1-10,21-22H
InChIKeyDTEBBJIEEYVVNJ-UHFFFAOYSA-N
XLogP4.61
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol
CID 135443142
1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
CID 136695197
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
1-[(4-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 809927
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-[(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)iminomethyl]naphthalen-2-ol
CID 1130023
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
CID 155033275
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 794050

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol (CID 728477) is 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol is Oc1ccc2ccccc2c1C=Nc1nc2c(O)cccc2s1.
What is the InChIKey of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol?
The InChIKey is DTEBBJIEEYVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-14-9-8-11-4-1-2-5-12(11)13(14)10-19-18-20-17-15(22)6-3-7-16(17)23-18/h1-10,21-22H.
What are the key properties of 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol?
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol has a molecular weight of 320.37 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 728477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).