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

C14H15NO3S — CID 113306348

IUPACmethyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCCOc1cccc(-c2nc(C(=O)OC)cs2)c1
InChIInChI=1S/C14H15NO3S/c1-3-7-18-11-6-4-5-10(8-11)13-15-12(9-19-13)14(16)17-2/h4-6,8-9H,3,7H2,1-2H3
InChIKeyWAZYNDZVONANKY-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.39
Rot. Bonds5

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

methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 113306348) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID113306348
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCCOc1cccc(-c2nc(C(=O)OC)cs2)c1
InChIInChI=1S/C14H15NO3S/c1-3-7-18-11-6-4-5-10(8-11)13-15-12(9-19-13)14(16)17-2/h4-6,8-9H,3,7H2,1-2H3
InChIKeyWAZYNDZVONANKY-UHFFFAOYSA-N
XLogP3.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
methyl 2-[3-[5-(oxan-2-yloxy)pentoxy]phenyl]-1,3-thiazole-4-carboxylate
CID 66816405
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
CID 55078974
2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
2-[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22682580
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
1-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543420
2-[3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686982
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 115422199
methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112618867

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate (CID 113306348) is methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate is CCCOc1cccc(-c2nc(C(=O)OC)cs2)c1.
What is the InChIKey of methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WAZYNDZVONANKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-7-18-11-6-4-5-10(8-11)13-15-12(9-19-13)14(16)17-2/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate?
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).