methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate

C12H11NO2S — CID 53271159

IUPACmethyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1-c1ccccc1C
InChIInChI=1S/C12H11NO2S/c1-8-5-3-4-6-9(8)11-10(12(14)15-2)13-7-16-11/h3-7H,1-2H3
InChIKeyWDVARELMIBMFRJ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.91
Rot. Bonds2

About methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate

methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 53271159) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID53271159
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Namemethyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1-c1ccccc1C
InChIInChI=1S/C12H11NO2S/c1-8-5-3-4-6-9(8)11-10(12(14)15-2)13-7-16-11/h3-7H,1-2H3
InChIKeyWDVARELMIBMFRJ-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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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate (CID 53271159) is methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1-c1ccccc1C.
What is the InChIKey of methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WDVARELMIBMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-5-3-4-6-9(8)11-10(12(14)15-2)13-7-16-11/h3-7H,1-2H3.
What are the key properties of methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate?
methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate 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 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).