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

C10H17F3N2OS — CID 54871878

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C10H17F3N2OS/c1-7(2)3-15(5-10(11,12)13)9(16)8-4-17-6-14-8/h7-8,14H,3-6H2,1-2H3
InChIKeyPKRGBULTQYMRCU-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.70
Rot. Bonds4

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

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54871878) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID54871878
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C10H17F3N2OS/c1-7(2)3-15(5-10(11,12)13)9(16)8-4-17-6-14-8/h7-8,14H,3-6H2,1-2H3
InChIKeyPKRGBULTQYMRCU-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 54871878) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)C1CSCN1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PKRGBULTQYMRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-7(2)3-15(5-10(11,12)13)9(16)8-4-17-6-14-8/h7-8,14H,3-6H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54871878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).