2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide

C13H11F3N2O2S — CID 167813148

IUPAC2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
SMILESCOc1cnc(NC(=O)C(F)(F)c2cc(F)ccc2C)s1
InChIInChI=1S/C13H11F3N2O2S/c1-7-3-4-8(14)5-9(7)13(15,16)11(19)18-12-17-6-10(20-2)21-12/h3-6H,1-2H3,(H,17,18,19)
InChIKeySMODCVRAEYBCQB-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.33
Rot. Bonds4

About 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide

2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide (PubChem CID 167813148) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
PubChem CID167813148
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
SMILESCOc1cnc(NC(=O)C(F)(F)c2cc(F)ccc2C)s1
InChIInChI=1S/C13H11F3N2O2S/c1-7-3-4-8(14)5-9(7)13(15,16)11(19)18-12-17-6-10(20-2)21-12/h3-6H,1-2H3,(H,17,18,19)
InChIKeySMODCVRAEYBCQB-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide (CID 167813148) is 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide is COc1cnc(NC(=O)C(F)(F)c2cc(F)ccc2C)s1.
What is the InChIKey of 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide?
The InChIKey is SMODCVRAEYBCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-7-3-4-8(14)5-9(7)13(15,16)11(19)18-12-17-6-10(20-2)21-12/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide?
2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide has a molecular weight of 316.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(5-fluoro-2-methylphenyl)-N-(5-methoxy-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 167813148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).