[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate

C18H15FN2O4S — CID 16570974

IUPAC[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C18H15FN2O4S/c1-23-16-7-2-12(8-20-16)18(22)25-9-14-11-26-17(21-14)10-24-15-5-3-13(19)4-6-15/h2-8,11H,9-10H2,1H3
InChIKeyMQCMFNUMMYENSH-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.62
Rot. Bonds7

About [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate

[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate (PubChem CID 16570974) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate
PubChem CID16570974
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)cn1
InChIInChI=1S/C18H15FN2O4S/c1-23-16-7-2-12(8-20-16)18(22)25-9-14-11-26-17(21-14)10-24-15-5-3-13(19)4-6-15/h2-8,11H,9-10H2,1H3
InChIKeyMQCMFNUMMYENSH-UHFFFAOYSA-N
XLogP3.62
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate?
The IUPAC name of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate (CID 16570974) is [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate?
The canonical SMILES for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate is COc1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)cn1.
What is the InChIKey of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate?
The InChIKey is MQCMFNUMMYENSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c1-23-16-7-2-12(8-20-16)18(22)25-9-14-11-26-17(21-14)10-24-15-5-3-13(19)4-6-15/h2-8,11H,9-10H2,1H3.
What are the key properties of [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate?
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate has a molecular weight of 374.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 16570974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).