1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol

C14H10N2OS — CID 673424

IUPAC1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1nccs1
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
InChIKeyRPRCLWZSHQECQD-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.75
Rot. Bonds2

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

1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol (PubChem CID 673424) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol
PubChem CID673424
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1nccs1
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
InChIKeyRPRCLWZSHQECQD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol (CID 673424) is 1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1C=Nc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol?
The InChIKey is RPRCLWZSHQECQD-UHFFFAOYSA-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.
What are the key properties of 1-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol?
1-(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-(1,3-thiazol-2-yliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 673424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).