1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol

C14H10N2OS — CID 135443142

IUPAC1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1nccs1
InChIInChI=1S/C14H10N2OS/c17-13-6-5-10-3-1-2-4-11(10)12(13)9-16-14-15-7-8-18-14/h1-9,17H/b16-9+
InChIKeyRPRCLWZSHQECQD-CXUHLZMHSA-N
MW254.31 g/mol
LogP3.75
Rot. Bonds2

About 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol

1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol (PubChem CID 135443142) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol
PubChem CID135443142
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1nccs1
InChIInChI=1S/C14H10N2OS/c17-13-6-5-10-3-1-2-4-11(10)12(13)9-16-14-15-7-8-18-14/h1-9,17H/b16-9+
InChIKeyRPRCLWZSHQECQD-CXUHLZMHSA-N
XLogP3.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.75
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-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-4-ol
CID 728477
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 1157126
1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
CID 136695197
1-[(E)-(3-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 135459002
1-[(4-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 809927
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
CID 155033275
3-[2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-thiazol-4-yl]chromen-2-one
CID 135716195

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol (CID 135443142) is 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1nccs1.
What is the InChIKey of 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol?
The InChIKey is RPRCLWZSHQECQD-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-13-6-5-10-3-1-2-4-11(10)12(13)9-16-14-15-7-8-18-14/h1-9,17H/b16-9+.
What are the key properties of 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol?
1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol has a molecular weight of 254.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,3-thiazol-2-yliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135443142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).