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

C17H13FN2O2S — CID 8918501

IUPAC(2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1ccccc1F
InChIInChI=1S/C17H13FN2O2S/c18-15-6-2-1-4-13(15)10-22-16(21)8-14-11-23-17(20-14)12-5-3-7-19-9-12/h1-7,9,11H,8,10H2
InChIKeyTUDVCTYSTFTRSH-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.63
Rot. Bonds5

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

(2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8918501) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8918501
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name(2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccnc2)n1)OCc1ccccc1F
InChIInChI=1S/C17H13FN2O2S/c18-15-6-2-1-4-13(15)10-22-16(21)8-14-11-23-17(20-14)12-5-3-7-19-9-12/h1-7,9,11H,8,10H2
InChIKeyTUDVCTYSTFTRSH-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 (2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8918501) is (2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2cccnc2)n1)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is TUDVCTYSTFTRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-15-6-2-1-4-13(15)10-22-16(21)8-14-11-23-17(20-14)12-5-3-7-19-9-12/h1-7,9,11H,8,10H2.
What are the key properties of (2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
(2-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 (2-fluorophenyl)methyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8918501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).