methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate

C12H11NO2S — CID 75175939

IUPACmethyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(C)ns2)cc1
InChIInChI=1S/C12H11NO2S/c1-8-7-11(16-13-8)9-3-5-10(6-4-9)12(14)15-2/h3-7H,1-2H3
InChIKeyGWDSEMNOINVPIX-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.91
Rot. Bonds2

About methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate

methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate (PubChem CID 75175939) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate
PubChem CID75175939
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Namemethyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(C)ns2)cc1
InChIInChI=1S/C12H11NO2S/c1-8-7-11(16-13-8)9-3-5-10(6-4-9)12(14)15-2/h3-7H,1-2H3
InChIKeyGWDSEMNOINVPIX-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methyl-1,2-thiazol-5-yl)benzoic acid
CID 82615707
methyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 131710035
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate
CID 46180144
methyl 4-[5-(hydroxymethyl)thiophen-2-yl]benzoate
CID 66742298
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 4-sulfanylbenzoate;hydrochloride
CID 162200366
methyl 4-acetylbenzoate;methyl 4-(3-methyl-1,2-oxazol-5-yl)benzoate
CID 159441639
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
methyl 4-(2-methylpyrimidin-5-yl)benzoate
CID 90375403

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate?
The IUPAC name of methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate (CID 75175939) is methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate.
What is the SMILES notation for methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate?
The canonical SMILES for methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate is COC(=O)c1ccc(-c2cc(C)ns2)cc1.
What is the InChIKey of methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate?
The InChIKey is GWDSEMNOINVPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-7-11(16-13-8)9-3-5-10(6-4-9)12(14)15-2/h3-7H,1-2H3.
What are the key properties of methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate?
methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate has a molecular weight of 233.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate is sourced from PubChem (CID 75175939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).