N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide

C13H11ClF2N2O2S — CID 24962688

IUPACN-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1F)C(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C13H11ClF2N2O2S/c1-13(2,11(19)18-12-17-6-10(14)21-12)20-9-4-3-7(15)5-8(9)16/h3-6H,1-2H3,(H,17,18,19)
InChIKeyQZELYVDZFFXBEB-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.87
Rot. Bonds4

About N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide

N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide (PubChem CID 24962688) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide
PubChem CID24962688
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(F)cc1F)C(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C13H11ClF2N2O2S/c1-13(2,11(19)18-12-17-6-10(14)21-12)20-9-4-3-7(15)5-8(9)16/h3-6H,1-2H3,(H,17,18,19)
InChIKeyQZELYVDZFFXBEB-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide (CID 24962688) is N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(F)cc1F)C(=O)Nc1ncc(Cl)s1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide?
The InChIKey is QZELYVDZFFXBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-13(2,11(19)18-12-17-6-10(14)21-12)20-9-4-3-7(15)5-8(9)16/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide?
N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide has a molecular weight of 332.76 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 24962688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).