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

C16H19NO3S — CID 116526130

IUPACethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCCOc1cccc(-c2nc(C(=O)OCC)c(C)s2)c1
InChIInChI=1S/C16H19NO3S/c1-4-9-20-13-8-6-7-12(10-13)15-17-14(11(3)21-15)16(18)19-5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyCTIMDGJFIJOZQG-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.08
Rot. Bonds6

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

ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 116526130) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID116526130
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Nameethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCCOc1cccc(-c2nc(C(=O)OCC)c(C)s2)c1
InChIInChI=1S/C16H19NO3S/c1-4-9-20-13-8-6-7-12(10-13)15-17-14(11(3)21-15)16(18)19-5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyCTIMDGJFIJOZQG-UHFFFAOYSA-N
XLogP4.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
ethyl 2-(3-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526219
ethyl 3-(3-propoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381918
ethyl 5-amino-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 83777894
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
ethyl 5-methyl-2-(4-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 116526178
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123
ethyl 5-amino-2-(3-bromophenyl)-1,3-thiazole-4-carboxylate
CID 122508668
methyl 5-methyl-2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 22494233
ethyl 2-(3-bromo-5-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 58127634
ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
CID 116526054

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate (CID 116526130) is ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate is CCCOc1cccc(-c2nc(C(=O)OCC)c(C)s2)c1.
What is the InChIKey of ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is CTIMDGJFIJOZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-9-20-13-8-6-7-12(10-13)15-17-14(11(3)21-15)16(18)19-5-2/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).