N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide

C7H11F3N2OS — CID 63227192

IUPACN-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CSCN1
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)1-2-11-6(13)5-3-14-4-12-5/h5,12H,1-4H2,(H,11,13)
InChIKeyOIADDYDYQCEVFS-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.72
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide

N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 63227192) has the molecular formula C7H11F3N2OS and a molecular weight of 228.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID63227192
Molecular FormulaC7H11F3N2OS
Molecular Weight228.24 g/mol
Exact Mass228.05
IUPAC NameN-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CSCN1
InChIInChI=1S/C7H11F3N2OS/c8-7(9,10)1-2-11-6(13)5-3-14-4-12-5/h5,12H,1-4H2,(H,11,13)
InChIKeyOIADDYDYQCEVFS-UHFFFAOYSA-N
XLogP0.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide (CID 63227192) is N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCC(F)(F)F)C1CSCN1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OIADDYDYQCEVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2OS/c8-7(9,10)1-2-11-6(13)5-3-14-4-12-5/h5,12H,1-4H2,(H,11,13).
What are the key properties of N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide?
N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 228.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 63227192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).