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

C14H15NO2S — CID 123763604

IUPACmethyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(-c2cccc(C)c2)s1
InChIInChI=1S/C14H15NO2S/c1-4-11-15-12(14(16)17-3)13(18-11)10-7-5-6-9(2)8-10/h5-8H,4H2,1-3H3
InChIKeySRLIFQRSYIQHJV-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.47
Rot. Bonds3

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

methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 123763604) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID123763604
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(-c2cccc(C)c2)s1
InChIInChI=1S/C14H15NO2S/c1-4-11-15-12(14(16)17-3)13(18-11)10-7-5-6-9(2)8-10/h5-8H,4H2,1-3H3
InChIKeySRLIFQRSYIQHJV-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate (CID 123763604) is methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate is CCc1nc(C(=O)OC)c(-c2cccc(C)c2)s1.
What is the InChIKey of methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is SRLIFQRSYIQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-4-11-15-12(14(16)17-3)13(18-11)10-7-5-6-9(2)8-10/h5-8H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate 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 2-ethyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 123763604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).