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

C12H11NO3S — CID 1474031

IUPACmethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc(O)c(C)s2)cc1
InChIInChI=1S/C12H11NO3S/c1-7-10(14)13-11(17-7)8-3-5-9(6-4-8)12(15)16-2/h3-6,14H,1-2H3
InChIKeyPIMOKRKXBVBGIP-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.61
Rot. Bonds2

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

methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate (PubChem CID 1474031) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
PubChem CID1474031
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Namemethyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc(O)c(C)s2)cc1
InChIInChI=1S/C12H11NO3S/c1-7-10(14)13-11(17-7)8-3-5-9(6-4-8)12(15)16-2/h3-6,14H,1-2H3
InChIKeyPIMOKRKXBVBGIP-UHFFFAOYSA-N
XLogP2.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 131710035
methyl 4-[4-[(1S,5S)-2,4-dioxo-3-bicyclo[3.2.1]octanyl]-5-methyl-1,3-thiazol-2-yl]benzoate
CID 88579720
methyl 4-(4,7-diamino-1,3-benzothiazol-2-yl)benzoate
CID 174276422
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
4-(4,5-dimethyl-1,3-thiazol-2-yl)benzoyl chloride
CID 21313618
methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
CID 1472843
methyl 2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306371
methyl 4-[5-(aminomethyl)-1,3-thiazol-2-yl]benzoate
CID 126697356
methyl 4-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 56762857
methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
CID 79036936

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The IUPAC name of methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate (CID 1474031) is methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate.
What is the SMILES notation for methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The canonical SMILES for methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate is COC(=O)c1ccc(-c2nc(O)c(C)s2)cc1.
What is the InChIKey of methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
The InChIKey is PIMOKRKXBVBGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-7-10(14)13-11(17-7)8-3-5-9(6-4-8)12(15)16-2/h3-6,14H,1-2H3.
What are the key properties of methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate?
methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate has a molecular weight of 249.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-5-methyl-1,3-thiazol-2-yl)benzoate is sourced from PubChem (CID 1474031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).