2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde

C15H11NO2S — CID 82305560

IUPAC2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(COc2ccc3ccccc3c2)s1
InChIInChI=1S/C15H11NO2S/c17-9-14-8-16-15(19-14)10-18-13-6-5-11-3-1-2-4-12(11)7-13/h1-9H,10H2
InChIKeyFGIIXKKHGVAKTN-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.69
Rot. Bonds4

About 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde

2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 82305560) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID82305560
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(COc2ccc3ccccc3c2)s1
InChIInChI=1S/C15H11NO2S/c17-9-14-8-16-15(19-14)10-18-13-6-5-11-3-1-2-4-12(11)7-13/h1-9H,10H2
InChIKeyFGIIXKKHGVAKTN-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazole-5-carbaldehyde
CID 82301125
2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole
CID 80609998
2-naphthalen-2-yloxyacetaldehyde
CID 15670594
2-[2-(naphthalen-2-yloxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 46741059
2-naphthalen-2-yloxyethyl formate
CID 54350487
2-bromo-5-(naphthalen-2-yloxymethyl)thiophene
CID 63458037
6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806
6-(4-bromophenyl)-2-(naphthalen-2-yloxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 44603922
3,5-dimethyl-2-(naphthalen-2-yloxymethyl)pyridin-4-amine
CID 103183022
2-[4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-5-yl]acetic acid
CID 82154417
2,5-bis(phenoxymethyl)-1,3-thiazole
CID 90704535
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde (CID 82305560) is 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(COc2ccc3ccccc3c2)s1.
What is the InChIKey of 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is FGIIXKKHGVAKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-9-14-8-16-15(19-14)10-18-13-6-5-11-3-1-2-4-12(11)7-13/h1-9H,10H2.
What are the key properties of 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde?
2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 269.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 82305560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).