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

C18H15FN2O3S — CID 167973884

IUPAC(5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOc1ccc(-c2nc(C(=O)OCc3cncc(F)c3)cs2)cc1
InChIInChI=1S/C18H15FN2O3S/c1-2-23-15-5-3-13(4-6-15)17-21-16(11-25-17)18(22)24-10-12-7-14(19)9-20-8-12/h3-9,11H,2,10H2,1H3
InChIKeyYRABODYUMKAEEC-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.10
Rot. Bonds6

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

(5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 167973884) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID167973884
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name(5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCCOc1ccc(-c2nc(C(=O)OCc3cncc(F)c3)cs2)cc1
InChIInChI=1S/C18H15FN2O3S/c1-2-23-15-5-3-13(4-6-15)17-21-16(11-25-17)18(22)24-10-12-7-14(19)9-20-8-12/h3-9,11H,2,10H2,1H3
InChIKeyYRABODYUMKAEEC-UHFFFAOYSA-N
XLogP4.10
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

thiophen-3-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594299
prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153458
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824580
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
pyridin-3-ylmethyl 2-(4-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 166205252
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153483
(2-ethoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135787
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46640740
ethyl 2-(4-hexoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594268
[3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 86863260
2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 78815304

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate (CID 167973884) is (5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate is CCOc1ccc(-c2nc(C(=O)OCc3cncc(F)c3)cs2)cc1.
What is the InChIKey of (5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is YRABODYUMKAEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-2-23-15-5-3-13(4-6-15)17-21-16(11-25-17)18(22)24-10-12-7-14(19)9-20-8-12/h3-9,11H,2,10H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
(5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 167973884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).