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

C9H15F3N2OS — CID 60946577

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C9H15F3N2OS/c1-6(2)14(4-9(10,11)12)8(15)7-3-16-5-13-7/h6-7,13H,3-5H2,1-2H3
InChIKeySDMHVXODGWBPAS-UHFFFAOYSA-N
MW256.29 g/mol
LogP1.45
Rot. Bonds3

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

N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 60946577) has the molecular formula C9H15F3N2OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID60946577
Molecular FormulaC9H15F3N2OS
Molecular Weight256.29 g/mol
Exact Mass256.09
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C9H15F3N2OS/c1-6(2)14(4-9(10,11)12)8(15)7-3-16-5-13-7/h6-7,13H,3-5H2,1-2H3
InChIKeySDMHVXODGWBPAS-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 60946577) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CC(C)N(CC(F)(F)F)C(=O)C1CSCN1.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SDMHVXODGWBPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS/c1-6(2)14(4-9(10,11)12)8(15)7-3-16-5-13-7/h6-7,13H,3-5H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 256.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60946577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).