2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde

C15H11NO2S — CID 43505591

IUPAC2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2cscn2)ccc2ccccc12
InChIInChI=1S/C15H11NO2S/c17-7-14-13-4-2-1-3-11(13)5-6-15(14)18-8-12-9-19-10-16-12/h1-7,9-10H,8H2
InChIKeyJRRJHCNUGYGSNL-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.69
Rot. Bonds4

About 2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde

2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde (PubChem CID 43505591) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde
PubChem CID43505591
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde
SMILESO=Cc1c(OCc2cscn2)ccc2ccccc12
InChIInChI=1S/C15H11NO2S/c17-7-14-13-4-2-1-3-11(13)5-6-15(14)18-8-12-9-19-10-16-12/h1-7,9-10H,8H2
InChIKeyJRRJHCNUGYGSNL-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

6,7,10-Trimethoxy-2-(1,3-thiazol-4-yl)benzo[h]chromen-4-one
CID 141533891
3-(1,3-Thiazol-4-ylmethoxy)-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 88412783
Methyl 1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methoxy]naphthalene-2-carboxylate
CID 156443292
1-[[4-(Trifluoromethyl)-1,3-thiazol-2-yl]methoxy]naphthalene-2-carboxylic acid
CID 156443379
2-(4-Thiazolyl)chromone
CID 129791637
(E)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 25533914
(E)-1-(3,4-difluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one
CID 46534703
(E)-1-(2,4-difluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one
CID 46534704
(E)-1-(4-fluorophenyl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-en-1-one
CID 46603693
(4Z)-7-fluoro-4-[[4-(1,3-thiazol-4-ylmethoxy)phenyl]methylidene]-2,3-dihydro-1-benzoxepin-5-one
CID 51112658
1-[4-Fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanone
CID 55148419
4-(1,3-Thiazol-4-ylmethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320130

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde (CID 43505591) is 2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde is O=Cc1c(OCc2cscn2)ccc2ccccc12.
What is the InChIKey of 2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde?
The InChIKey is JRRJHCNUGYGSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-7-14-13-4-2-1-3-11(13)5-6-15(14)18-8-12-9-19-10-16-12/h1-7,9-10H,8H2.
What are the key properties of 2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde?
2-(1,3-thiazol-4-ylmethoxy)naphthalene-1-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-(1,3-thiazol-4-ylmethoxy)naphthalene-1-carbaldehyde is sourced from PubChem (CID 43505591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).