N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide

C8H10F2N2OS — CID 170408806

IUPACN-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NCC(F)F)sc1C
InChIInChI=1S/C8H10F2N2OS/c1-4-5(2)14-8(12-4)7(13)11-3-6(9)10/h6H,3H2,1-2H3,(H,11,13)
InChIKeyGGLJIFCAIMGPDW-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.75
Rot. Bonds3

About N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide

N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 170408806) has the molecular formula C8H10F2N2OS and a molecular weight of 220.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID170408806
Molecular FormulaC8H10F2N2OS
Molecular Weight220.24 g/mol
Exact Mass220.05
IUPAC NameN-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NCC(F)F)sc1C
InChIInChI=1S/C8H10F2N2OS/c1-4-5(2)14-8(12-4)7(13)11-3-6(9)10/h6H,3H2,1-2H3,(H,11,13)
InChIKeyGGLJIFCAIMGPDW-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide (CID 170408806) is N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NCC(F)F)sc1C.
What is the InChIKey of N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is GGLJIFCAIMGPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2OS/c1-4-5(2)14-8(12-4)7(13)11-3-6(9)10/h6H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 220.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 170408806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).