N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide

C11H18F3N3OS — CID 60856335

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)C1CSCN1
InChIInChI=1S/C11H18F3N3OS/c12-11(13,14)6-17-2-1-8(4-17)3-15-10(18)9-5-19-7-16-9/h8-9,16H,1-7H2,(H,15,18)
InChIKeyYXBAQVZMKBWEOO-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.65
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 60856335) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID60856335
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)C1CSCN1
InChIInChI=1S/C11H18F3N3OS/c12-11(13,14)6-17-2-1-8(4-17)3-15-10(18)9-5-19-7-16-9/h8-9,16H,1-7H2,(H,15,18)
InChIKeyYXBAQVZMKBWEOO-UHFFFAOYSA-N
XLogP0.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide (CID 60856335) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)C1CSCN1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is YXBAQVZMKBWEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3OS/c12-11(13,14)6-17-2-1-8(4-17)3-15-10(18)9-5-19-7-16-9/h8-9,16H,1-7H2,(H,15,18).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60856335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).