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

C7H8F2N2OS — CID 103515721

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
SMILESCc1nc(NC(=O)C(F)F)sc1C
InChIInChI=1S/C7H8F2N2OS/c1-3-4(2)13-7(10-3)11-6(12)5(8)9/h5H,1-2H3,(H,10,11,12)
InChIKeyPYCLCTOEZGGOMY-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.96
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide (PubChem CID 103515721) has the molecular formula C7H8F2N2OS and a molecular weight of 206.22 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
PubChem CID103515721
Molecular FormulaC7H8F2N2OS
Molecular Weight206.22 g/mol
Exact Mass206.03
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
SMILESCc1nc(NC(=O)C(F)F)sc1C
InChIInChI=1S/C7H8F2N2OS/c1-3-4(2)13-7(10-3)11-6(12)5(8)9/h5H,1-2H3,(H,10,11,12)
InChIKeyPYCLCTOEZGGOMY-UHFFFAOYSA-N
XLogP1.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide (CID 103515721) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide is Cc1nc(NC(=O)C(F)F)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The InChIKey is PYCLCTOEZGGOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2OS/c1-3-4(2)13-7(10-3)11-6(12)5(8)9/h5H,1-2H3,(H,10,11,12).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide has a molecular weight of 206.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103515721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).