N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide

C8H10F2N2OS — CID 107168068

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide
SMILESCCc1cnc(CNC(=O)C(F)F)s1
InChIInChI=1S/C8H10F2N2OS/c1-2-5-3-11-6(14-5)4-12-8(13)7(9)10/h3,7H,2,4H2,1H3,(H,12,13)
InChIKeyNLITZLHJMXYEAC-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.59
Rot. Bonds4

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide (PubChem CID 107168068) has the molecular formula C8H10F2N2OS and a molecular weight of 220.24 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide
PubChem CID107168068
Molecular FormulaC8H10F2N2OS
Molecular Weight220.24 g/mol
Exact Mass220.05
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide
SMILESCCc1cnc(CNC(=O)C(F)F)s1
InChIInChI=1S/C8H10F2N2OS/c1-2-5-3-11-6(14-5)4-12-8(13)7(9)10/h3,7H,2,4H2,1H3,(H,12,13)
InChIKeyNLITZLHJMXYEAC-UHFFFAOYSA-N
XLogP1.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide (CID 107168068) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide is CCc1cnc(CNC(=O)C(F)F)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide?
The InChIKey is NLITZLHJMXYEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2OS/c1-2-5-3-11-6(14-5)4-12-8(13)7(9)10/h3,7H,2,4H2,1H3,(H,12,13).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide has a molecular weight of 220.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 107168068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).