5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide

C20H19FN2O3S — CID 141216475

IUPAC5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)Oc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1nccs1
InChIInChI=1S/C20H19FN2O3S/c1-13(2)26-18-7-6-16(25-12-14-4-3-5-15(21)10-14)11-17(18)19(24)23-20-22-8-9-27-20/h3-11,13H,12H2,1-2H3,(H,22,23,24)
InChIKeyCURKJDPRPVHZGQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.90
Rot. Bonds7

About 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide

5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 141216475) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID141216475
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)Oc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1nccs1
InChIInChI=1S/C20H19FN2O3S/c1-13(2)26-18-7-6-16(25-12-14-4-3-5-15(21)10-14)11-17(18)19(24)23-20-22-8-9-27-20/h3-11,13H,12H2,1-2H3,(H,22,23,24)
InChIKeyCURKJDPRPVHZGQ-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide (CID 141216475) is 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide is CC(C)Oc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1nccs1.
What is the InChIKey of 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is CURKJDPRPVHZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-13(2)26-18-7-6-16(25-12-14-4-3-5-15(21)10-14)11-17(18)19(24)23-20-22-8-9-27-20/h3-11,13H,12H2,1-2H3,(H,22,23,24).
What are the key properties of 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 141216475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).