ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate

C19H17FN2O2S — CID 118663240

IUPACethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)c2ccc(-c3cscn3)cc2)c(C)cn1
InChIInChI=1S/C19H17FN2O2S/c1-3-24-19(23)16-8-15(12(2)9-21-16)18(20)14-6-4-13(5-7-14)17-10-25-11-22-17/h4-11,18H,3H2,1-2H3
InChIKeySXOZYGZRCLKHRM-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.75
Rot. Bonds5

About ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate

ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate (PubChem CID 118663240) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate
PubChem CID118663240
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Nameethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)c2ccc(-c3cscn3)cc2)c(C)cn1
InChIInChI=1S/C19H17FN2O2S/c1-3-24-19(23)16-8-15(12(2)9-21-16)18(20)14-6-4-13(5-7-14)17-10-25-11-22-17/h4-11,18H,3H2,1-2H3
InChIKeySXOZYGZRCLKHRM-UHFFFAOYSA-N
XLogP4.75
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate (CID 118663240) is ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate is CCOC(=O)c1cc(C(F)c2ccc(-c3cscn3)cc2)c(C)cn1.
What is the InChIKey of ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate?
The InChIKey is SXOZYGZRCLKHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-3-24-19(23)16-8-15(12(2)9-21-16)18(20)14-6-4-13(5-7-14)17-10-25-11-22-17/h4-11,18H,3H2,1-2H3.
What are the key properties of ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate?
ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[fluoro-[4-(1,3-thiazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 118663240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).