methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate

C13H13NO3S — CID 121397503

IUPACmethyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate
SMILESCCc1cnc(-c2cc(O)cc(C(=O)OC)c2)s1
InChIInChI=1S/C13H13NO3S/c1-3-11-7-14-12(18-11)8-4-9(13(16)17-2)6-10(15)5-8/h4-7,15H,3H2,1-2H3
InChIKeyMRLSPHJMTUUKAG-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.86
Rot. Bonds3

About methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate

methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate (PubChem CID 121397503) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate
PubChem CID121397503
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Namemethyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate
SMILESCCc1cnc(-c2cc(O)cc(C(=O)OC)c2)s1
InChIInChI=1S/C13H13NO3S/c1-3-11-7-14-12(18-11)8-4-9(13(16)17-2)6-10(15)5-8/h4-7,15H,3H2,1-2H3
InChIKeyMRLSPHJMTUUKAG-UHFFFAOYSA-N
XLogP2.86
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxybenzoate
CID 121397743
methyl 4-[5-(aminomethyl)-1,3-thiazol-2-yl]benzoate
CID 126697356
4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
CID 62651340
bromoethane;dimethyl 5-hydroxybenzene-1,3-dicarboxylate
CID 175420883
4-[4-(3-hydroxy-5-methoxycarbonylphenyl)phenyl]benzoic acid
CID 167869556
methyl 3-(3,5-dichlorophenyl)-5-hydroxybenzoate
CID 146243627
methyl 3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzoate
CID 121397546
5-ethyl-2-pyridin-4-yl-1,3-thiazole
CID 59113493
methyl 3-hydroxy-5-(hydroxymethoxy)benzoate
CID 143054476
3-[4-(5-ethyl-1,3-thiazol-2-yl)phenoxy]propan-1-ol
CID 157454552
3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-5-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
CID 121397635
methyl 3-carbonochloridoyl-5-hydroxybenzoate
CID 45081214

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate?
The IUPAC name of methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate (CID 121397503) is methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate.
What is the SMILES notation for methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate?
The canonical SMILES for methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate is CCc1cnc(-c2cc(O)cc(C(=O)OC)c2)s1.
What is the InChIKey of methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate?
The InChIKey is MRLSPHJMTUUKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-11-7-14-12(18-11)8-4-9(13(16)17-2)6-10(15)5-8/h4-7,15H,3H2,1-2H3.
What are the key properties of methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate?
methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate has a molecular weight of 263.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-hydroxybenzoate is sourced from PubChem (CID 121397503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).