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

C14H15NO2S — CID 79036936

IUPACmethyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
SMILESCCc1nc(-c2cccc(C(=O)OC)c2)sc1C
InChIInChI=1S/C14H15NO2S/c1-4-12-9(2)18-13(15-12)10-6-5-7-11(8-10)14(16)17-3/h5-8H,4H2,1-3H3
InChIKeyLDIZIRCMWVWRMN-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.47
Rot. Bonds3

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

methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate (PubChem CID 79036936) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
PubChem CID79036936
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
SMILESCCc1nc(-c2cccc(C(=O)OC)c2)sc1C
InChIInChI=1S/C14H15NO2S/c1-4-12-9(2)18-13(15-12)10-6-5-7-11(8-10)14(16)17-3/h5-8H,4H2,1-3H3
InChIKeyLDIZIRCMWVWRMN-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-acetamido-4-ethyl-1,3-thiazol-2-yl)benzoyl chloride
CID 21313579
methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate
CID 58138527
methyl 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzoate
CID 80556455
methyl 4-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzoate
CID 82785402
[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558534
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
methyl 3-(3-chloro-4-ethylphenyl)benzoate
CID 71020930
methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114374877
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
methyl 3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzoate
CID 80556382
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate?
The IUPAC name of methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate (CID 79036936) is methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate.
What is the SMILES notation for methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate?
The canonical SMILES for methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate is CCc1nc(-c2cccc(C(=O)OC)c2)sc1C.
What is the InChIKey of methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate?
The InChIKey is LDIZIRCMWVWRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-4-12-9(2)18-13(15-12)10-6-5-7-11(8-10)14(16)17-3/h5-8H,4H2,1-3H3.
What are the key properties of methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate?
methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate has a molecular weight of 261.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate is sourced from PubChem (CID 79036936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).