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

C14H15NO3S — CID 122477008

IUPACmethyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1sc(-c2ccc(OC)cc2)nc1C(=O)OC
InChIInChI=1S/C14H15NO3S/c1-4-11-12(14(16)18-3)15-13(19-11)9-5-7-10(17-2)8-6-9/h5-8H,4H2,1-3H3
InChIKeyHKFLHEACBSLRKP-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.17
Rot. Bonds4

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

methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 122477008) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID122477008
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCc1sc(-c2ccc(OC)cc2)nc1C(=O)OC
InChIInChI=1S/C14H15NO3S/c1-4-11-12(14(16)18-3)15-13(19-11)9-5-7-10(17-2)8-6-9/h5-8H,4H2,1-3H3
InChIKeyHKFLHEACBSLRKP-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235
3-[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82432663
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
methyl 2-(2,6-dimethyl-4-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 107502186
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
methyl 5-acetyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 106695962
2-[4-(4-chloro-3-phosphanylphenyl)-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 122490676
N-tert-butyl-5-(tert-butylamino)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 177473775
ethyl 4-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 131954915

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 122477008) is methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is CCc1sc(-c2ccc(OC)cc2)nc1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is HKFLHEACBSLRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-4-11-12(14(16)18-3)15-13(19-11)9-5-7-10(17-2)8-6-9/h5-8H,4H2,1-3H3.
What are the key properties of methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 122477008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).