N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

C9H15F3N2OS — CID 60944621

IUPACN-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C9H15F3N2OS/c1-2-3-14(5-9(10,11)12)8(15)7-4-16-6-13-7/h7,13H,2-6H2,1H3
InChIKeyUWGFWMQUVPNFIL-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.45
Rot. Bonds4

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

N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 60944621) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID60944621
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C9H15F3N2OS/c1-2-3-14(5-9(10,11)12)8(15)7-4-16-6-13-7/h7,13H,2-6H2,1H3
InChIKeyUWGFWMQUVPNFIL-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 60944621) is N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CSCN1.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UWGFWMQUVPNFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-2-3-14(5-9(10,11)12)8(15)7-4-16-6-13-7/h7,13H,2-6H2,1H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 256.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60944621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).