N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C9H14F2N2O3S — CID 107482700

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C1CSCN1CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N2O3S/c10-7(11)3-12(1-2-14)8(15)4-13-6-17-5-9(13)16/h7,14H,1-6H2
InChIKeyNKORXYSYEUHOMW-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.39
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 107482700) has the molecular formula C9H14F2N2O3S and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID107482700
Molecular FormulaC9H14F2N2O3S
Molecular Weight268.28 g/mol
Exact Mass268.07
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C1CSCN1CC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N2O3S/c10-7(11)3-12(1-2-14)8(15)4-13-6-17-5-9(13)16/h7,14H,1-6H2
InChIKeyNKORXYSYEUHOMW-UHFFFAOYSA-N
XLogP-0.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-Oxo-1,3-thiazolidin-3-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258141
N-(3,3-difluoro-2-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 103770465
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113248475
N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113351067
3-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 13853996
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 27409952
N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-propylacetamide
CID 45810724
N,N-bis(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 61236011

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 107482700) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C1CSCN1CC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is NKORXYSYEUHOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3S/c10-7(11)3-12(1-2-14)8(15)4-13-6-17-5-9(13)16/h7,14H,1-6H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 268.28 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 107482700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).