(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide

C20H19FN2O3S — CID 26819769

IUPAC(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCOc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccccc3F)cs2)cc1
InChIInChI=1S/C20H19FN2O3S/c1-13(26-18-6-4-3-5-17(18)21)19(24)22-11-15-12-27-20(23-15)14-7-9-16(25-2)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyDVLFTAWBIKCTID-CYBMUJFWSA-N
MW386.45 g/mol
LogP4.04
Rot. Bonds7

About (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide

(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 26819769) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID26819769
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCOc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccccc3F)cs2)cc1
InChIInChI=1S/C20H19FN2O3S/c1-13(26-18-6-4-3-5-17(18)21)19(24)22-11-15-12-27-20(23-15)14-7-9-16(25-2)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyDVLFTAWBIKCTID-CYBMUJFWSA-N
XLogP4.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide (CID 26819769) is (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide is COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccccc3F)cs2)cc1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is DVLFTAWBIKCTID-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-13(26-18-6-4-3-5-17(18)21)19(24)22-11-15-12-27-20(23-15)14-7-9-16(25-2)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 386.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 26819769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).