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

C5H6F2N2OS — CID 130723786

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide
SMILESO=C(NC1=NCCS1)C(F)F
InChIInChI=1S/C5H6F2N2OS/c6-3(7)4(10)9-5-8-1-2-11-5/h3H,1-2H2,(H,8,9,10)
InChIKeyPEGZUGOVONUCOY-UHFFFAOYSA-N
MW180.18 g/mol
LogP0.47
Rot. Bonds1

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide (PubChem CID 130723786) has the molecular formula C5H6F2N2OS and a molecular weight of 180.18 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide
PubChem CID130723786
Molecular FormulaC5H6F2N2OS
Molecular Weight180.18 g/mol
Exact Mass180.02
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide
SMILESO=C(NC1=NCCS1)C(F)F
InChIInChI=1S/C5H6F2N2OS/c6-3(7)4(10)9-5-8-1-2-11-5/h3H,1-2H2,(H,8,9,10)
InChIKeyPEGZUGOVONUCOY-UHFFFAOYSA-N
XLogP0.47
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide (CID 130723786) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide is O=C(NC1=NCCS1)C(F)F.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The InChIKey is PEGZUGOVONUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2OS/c6-3(7)4(10)9-5-8-1-2-11-5/h3H,1-2H2,(H,8,9,10).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide has a molecular weight of 180.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 130723786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).