2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide

C16H18F2N2OS — CID 138029901

IUPAC2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide
SMILESCc1ncc(C(C)NC(=O)C(C)(C)c2ccc(F)cc2F)s1
InChIInChI=1S/C16H18F2N2OS/c1-9(14-8-19-10(2)22-14)20-15(21)16(3,4)12-6-5-11(17)7-13(12)18/h5-9H,1-4H3,(H,20,21)
InChIKeyUPABPXREABFZKX-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.88
Rot. Bonds4

About 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide

2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide (PubChem CID 138029901) has the molecular formula C16H18F2N2OS and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide
PubChem CID138029901
Molecular FormulaC16H18F2N2OS
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide
SMILESCc1ncc(C(C)NC(=O)C(C)(C)c2ccc(F)cc2F)s1
InChIInChI=1S/C16H18F2N2OS/c1-9(14-8-19-10(2)22-14)20-15(21)16(3,4)12-6-5-11(17)7-13(12)18/h5-9H,1-4H3,(H,20,21)
InChIKeyUPABPXREABFZKX-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide (CID 138029901) is 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide is Cc1ncc(C(C)NC(=O)C(C)(C)c2ccc(F)cc2F)s1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
The InChIKey is UPABPXREABFZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2OS/c1-9(14-8-19-10(2)22-14)20-15(21)16(3,4)12-6-5-11(17)7-13(12)18/h5-9H,1-4H3,(H,20,21).
What are the key properties of 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide has a molecular weight of 324.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 138029901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).