2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate

C18H17NO5S — CID 167758388

IUPAC2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate
SMILESCOc1ncc(C(=O)OCCOc2ccc(OC)c3ccccc23)s1
InChIInChI=1S/C18H17NO5S/c1-21-14-7-8-15(13-6-4-3-5-12(13)14)23-9-10-24-17(20)16-11-19-18(22-2)25-16/h3-8,11H,9-10H2,1-2H3
InChIKeyJMLGLPCYRSCONO-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.55
Rot. Bonds7

About 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate

2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate (PubChem CID 167758388) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate
PubChem CID167758388
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate
SMILESCOc1ncc(C(=O)OCCOc2ccc(OC)c3ccccc23)s1
InChIInChI=1S/C18H17NO5S/c1-21-14-7-8-15(13-6-4-3-5-12(13)14)23-9-10-24-17(20)16-11-19-18(22-2)25-16/h3-8,11H,9-10H2,1-2H3
InChIKeyJMLGLPCYRSCONO-UHFFFAOYSA-N
XLogP3.55
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
CID 71292723
2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 71292860
2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 71292938
[3-Methyl-2-(trifluoromethyl)phenyl] 1,3-thiazole-5-carboxylate
CID 57075137
2-[[2-(2-fluoro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid
CID 71292779
methyl 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylate
CID 71292829
methyl 2-[[2-(2-fluoro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylate
CID 71292842
2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid
CID 71292952
2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid
CID 71292981
2-[[2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid
CID 71292985
2-[[2-(3-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylic acid
CID 71293077
methyl 2-[[2-(3-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carboxylate
CID 71293078

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate (CID 167758388) is 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate is COc1ncc(C(=O)OCCOc2ccc(OC)c3ccccc23)s1.
What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate?
The InChIKey is JMLGLPCYRSCONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-21-14-7-8-15(13-6-4-3-5-12(13)14)23-9-10-24-17(20)16-11-19-18(22-2)25-16/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate?
2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate has a molecular weight of 359.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxynaphthalen-1-yl)oxyethyl 2-methoxy-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 167758388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).