4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde

C15H11NO2S — CID 116867332

IUPAC4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde
SMILESCOc1ccc2cc(-c3csc(C=O)n3)ccc2c1
InChIInChI=1S/C15H11NO2S/c1-18-13-5-4-10-6-12(3-2-11(10)7-13)14-9-19-15(8-17)16-14/h2-9H,1H3
InChIKeyIUZRZWNAYUUBBO-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.78
Rot. Bonds3

About 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde

4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde (PubChem CID 116867332) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde
PubChem CID116867332
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde
SMILESCOc1ccc2cc(-c3csc(C=O)n3)ccc2c1
InChIInChI=1S/C15H11NO2S/c1-18-13-5-4-10-6-12(3-2-11(10)7-13)14-9-19-15(8-17)16-14/h2-9H,1H3
InChIKeyIUZRZWNAYUUBBO-UHFFFAOYSA-N
XLogP3.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.78
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

4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3744151
4-[4-(2-phenoxyethoxy)phenyl]-1,3-thiazole-2-carbaldehyde
CID 3676431
2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 3429655
4-phenyl-1,3-thiazole-2-carbaldehyde
CID 3538814
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
CID 155807224
1-(3-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-en-1-one
CID 72685777
N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline
CID 143246980

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde (CID 116867332) is 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde is COc1ccc2cc(-c3csc(C=O)n3)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is IUZRZWNAYUUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-18-13-5-4-10-6-12(3-2-11(10)7-13)14-9-19-15(8-17)16-14/h2-9H,1H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde?
4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 269.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 116867332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).