(3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

C17H13FN2O2S — CID 8919867

IUPAC(3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1cccc(F)c1
InChIInChI=1S/C17H13FN2O2S/c18-14-5-1-3-12(7-14)10-22-16(21)8-15-11-23-17(20-15)13-4-2-6-19-9-13/h1-7,9,11H,8,10H2
InChIKeyPUOSHSUXLFTQDO-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.63
Rot. Bonds5

About (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

(3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8919867) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8919867
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name(3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1cccc(F)c1
InChIInChI=1S/C17H13FN2O2S/c18-14-5-1-3-12(7-14)10-22-16(21)8-15-11-23-17(20-15)13-4-2-6-19-9-13/h1-7,9,11H,8,10H2
InChIKeyPUOSHSUXLFTQDO-UHFFFAOYSA-N
XLogP3.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8919867) is (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2cccnc2)n1)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is PUOSHSUXLFTQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-14-5-1-3-12(7-14)10-22-16(21)8-15-11-23-17(20-15)13-4-2-6-19-9-13/h1-7,9,11H,8,10H2.
What are the key properties of (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
(3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 328.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8919867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).