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

C15H17NO2S — CID 59820228

IUPACmethyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)12-9-19-13(16-12)10-7-5-6-8-11(10)14(17)18-4/h5-9H,1-4H3
InChIKeyGWYXKGHRSCHBAN-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.89
Rot. Bonds2

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

methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate (PubChem CID 59820228) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate
PubChem CID59820228
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)12-9-19-13(16-12)10-7-5-6-8-11(10)14(17)18-4/h5-9H,1-4H3
InChIKeyGWYXKGHRSCHBAN-UHFFFAOYSA-N
XLogP3.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
CID 142384414
methyl 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 174727553
[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methylideneamino] 2-chlorobenzoate
CID 2820585
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(2-oxo-1,3-dithiol-4-yl)benzoate
CID 11021386
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 115422199
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 5-amino-6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylate
CID 114405863
methyl 2-[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate?
The IUPAC name of methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate (CID 59820228) is methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate.
What is the SMILES notation for methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate?
The canonical SMILES for methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate is COC(=O)c1ccccc1-c1nc(C(C)(C)C)cs1.
What is the InChIKey of methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate?
The InChIKey is GWYXKGHRSCHBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-15(2,3)12-9-19-13(16-12)10-7-5-6-8-11(10)14(17)18-4/h5-9H,1-4H3.
What are the key properties of methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate?
methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate has a molecular weight of 275.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate is sourced from PubChem (CID 59820228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).