3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol

C19H14N2OS — CID 137193866

IUPAC3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESCc1ccc2sc(N=Cc3cc4ccccc4cc3O)nc2c1
InChIInChI=1S/C19H14N2OS/c1-12-6-7-18-16(8-12)21-19(23-18)20-11-15-9-13-4-2-3-5-14(13)10-17(15)22/h2-11,22H,1H3
InChIKeyQFIQATYJPOXSQJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.21
Rot. Bonds2

About 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol

3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol (PubChem CID 137193866) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol
PubChem CID137193866
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESCc1ccc2sc(N=Cc3cc4ccccc4cc3O)nc2c1
InChIInChI=1S/C19H14N2OS/c1-12-6-7-18-16(8-12)21-19(23-18)20-11-15-9-13-4-2-3-5-14(13)10-17(15)22/h2-11,22H,1H3
InChIKeyQFIQATYJPOXSQJ-UHFFFAOYSA-N
XLogP5.21
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-(5,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-4,5-dimethylphenol
CID 135928987
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
2-(1,3-benzothiazol-2-yliminomethyl)-4-nitrophenol
CID 584602
3-methanehydrazonoylnaphthalen-2-ol
CID 915671
5-(diethylamino)-2-[(E)-(5,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]phenol
CID 135928970
methyl 2-[(2-hydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxylate
CID 787707
3,4-dibromo-6-methoxy-2-[(E)-(6-methyl-1,3-benzothiazol-2-yl)iminomethyl]phenol
CID 135411971
3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol
CID 171390941
2-bromo-4-chloro-6-[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol
CID 3877660
5-methyl-2-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-benzothiazole
CID 170682224
4-(1,3-benzothiazol-2-yliminomethyl)-2,6-ditert-butylphenol
CID 5047427
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol (CID 137193866) is 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol is Cc1ccc2sc(N=Cc3cc4ccccc4cc3O)nc2c1.
What is the InChIKey of 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is QFIQATYJPOXSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-12-6-7-18-16(8-12)21-19(23-18)20-11-15-9-13-4-2-3-5-14(13)10-17(15)22/h2-11,22H,1H3.
What are the key properties of 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol?
3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 318.40 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-benzothiazol-2-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 137193866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).