methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate

C14H15NO3S — CID 53271142

IUPACmethyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOc1ccccc1-c1sc(C)nc1C(=O)OC
InChIInChI=1S/C14H15NO3S/c1-4-18-11-8-6-5-7-10(11)13-12(14(16)17-3)15-9(2)19-13/h5-8H,4H2,1-3H3
InChIKeySFLYVWFUXNNDSO-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.30
Rot. Bonds4

About methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate

methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 53271142) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID53271142
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOc1ccccc1-c1sc(C)nc1C(=O)OC
InChIInChI=1S/C14H15NO3S/c1-4-18-11-8-6-5-7-10(11)13-12(14(16)17-3)15-9(2)19-13/h5-8H,4H2,1-3H3
InChIKeySFLYVWFUXNNDSO-UHFFFAOYSA-N
XLogP3.30
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
methyl 5-(1-benzofuran-3-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510668
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
methyl 2-(2-ethoxyphenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 28556320
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
methyl 2-amino-5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271136
4-(2-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082547
N-(2-ethoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736248
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
[5-(2-ethoxyphenyl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 39351015

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 53271142) is methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate is CCOc1ccccc1-c1sc(C)nc1C(=O)OC.
What is the InChIKey of methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is SFLYVWFUXNNDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-4-18-11-8-6-5-7-10(11)13-12(14(16)17-3)15-9(2)19-13/h5-8H,4H2,1-3H3.
What are the key properties of methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).