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

C17H13NO2S — CID 142384414

IUPACmethyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13NO2S/c1-20-17(19)14-10-6-5-9-13(14)16-18-15(11-21-16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyYHBKYACJJIUTLT-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.26
Rot. Bonds3

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

methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate (PubChem CID 142384414) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
PubChem CID142384414
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Namemethyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13NO2S/c1-20-17(19)14-10-6-5-9-13(14)16-18-15(11-21-16)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyYHBKYACJJIUTLT-UHFFFAOYSA-N
XLogP4.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 174727553
methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)benzoate
CID 59820228
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637
methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate
CID 108776253
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
CID 100597759
methyl 5-(4-methoxyphenyl)sulfanyl-4-(4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxylate
CID 57053883
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
methyl 3-[2-(methylamino)-1,3-thiazol-4-yl]azulene-1-carboxylate
CID 11254998

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate?
The IUPAC name of methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate (CID 142384414) is methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate.
What is the SMILES notation for methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate?
The canonical SMILES for methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate is COC(=O)c1ccccc1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate?
The InChIKey is YHBKYACJJIUTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-20-17(19)14-10-6-5-9-13(14)16-18-15(11-21-16)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate?
methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate has a molecular weight of 295.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate is sourced from PubChem (CID 142384414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).