methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate

C15H11NO2S — CID 113306366

IUPACmethyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2cccc3ccccc23)n1
InChIInChI=1S/C15H11NO2S/c1-18-15(17)13-9-19-14(16-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChIKeyIDHNJWDAFZGPBL-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.75
Rot. Bonds2

About methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate

methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate (PubChem CID 113306366) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
PubChem CID113306366
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Namemethyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2cccc3ccccc23)n1
InChIInChI=1S/C15H11NO2S/c1-18-15(17)13-9-19-14(16-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChIKeyIDHNJWDAFZGPBL-UHFFFAOYSA-N
XLogP3.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 115422199
methyl 2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 169498575
methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 53271143
methyl 2-(1H-pyrrol-2-yl)-1,3-thiazole-4-carboxylate
CID 136984627
ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine
CID 70160605
ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 58924938
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
methyl 2-(6-chloropyridazin-3-yl)-1,3-thiazole-4-carboxylate
CID 169498441
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
methyl 2-[[naphthalene-1-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766734
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067

Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate (CID 113306366) is methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2cccc3ccccc23)n1.
What is the InChIKey of methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate?
The InChIKey is IDHNJWDAFZGPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-18-15(17)13-9-19-14(16-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3.
What are the key properties of methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate?
methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).