N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide

C8H10F2N2OS — CID 103515645

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
SMILESCCc1nc(NC(=O)C(F)F)sc1C
InChIInChI=1S/C8H10F2N2OS/c1-3-5-4(2)14-8(11-5)12-7(13)6(9)10/h6H,3H2,1-2H3,(H,11,12,13)
InChIKeyGYWCBQSFGRSUJX-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.22
Rot. Bonds3

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide (PubChem CID 103515645) has the molecular formula C8H10F2N2OS and a molecular weight of 220.24 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
PubChem CID103515645
Molecular FormulaC8H10F2N2OS
Molecular Weight220.24 g/mol
Exact Mass220.05
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
SMILESCCc1nc(NC(=O)C(F)F)sc1C
InChIInChI=1S/C8H10F2N2OS/c1-3-5-4(2)14-8(11-5)12-7(13)6(9)10/h6H,3H2,1-2H3,(H,11,12,13)
InChIKeyGYWCBQSFGRSUJX-UHFFFAOYSA-N
XLogP2.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide (CID 103515645) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide is CCc1nc(NC(=O)C(F)F)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The InChIKey is GYWCBQSFGRSUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2OS/c1-3-5-4(2)14-8(11-5)12-7(13)6(9)10/h6H,3H2,1-2H3,(H,11,12,13).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide has a molecular weight of 220.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103515645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).