N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide

C6H10F2N2OS — CID 81434239

IUPACN-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(F)F)C1CSCN1
InChIInChI=1S/C6H10F2N2OS/c7-5(8)1-9-6(11)4-2-12-3-10-4/h4-5,10H,1-3H2,(H,9,11)
InChIKeyOFKQQHBUQXKQMR-UHFFFAOYSA-N
MW196.22 g/mol
LogP0.03
Rot. Bonds3

About N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide

N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 81434239) has the molecular formula C6H10F2N2OS and a molecular weight of 196.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID81434239
Molecular FormulaC6H10F2N2OS
Molecular Weight196.22 g/mol
Exact Mass196.05
IUPAC NameN-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC(F)F)C1CSCN1
InChIInChI=1S/C6H10F2N2OS/c7-5(8)1-9-6(11)4-2-12-3-10-4/h4-5,10H,1-3H2,(H,9,11)
InChIKeyOFKQQHBUQXKQMR-UHFFFAOYSA-N
XLogP0.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 81434239) is N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCC(F)F)C1CSCN1.
What is the InChIKey of N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OFKQQHBUQXKQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2OS/c7-5(8)1-9-6(11)4-2-12-3-10-4/h4-5,10H,1-3H2,(H,9,11).
What are the key properties of N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 196.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 81434239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).