N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

C10H14F3N3S — CID 60856807

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)CN1CCC(CNc2nccs2)C1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)7-16-3-1-8(6-16)5-15-9-14-2-4-17-9/h2,4,8H,1,3,5-7H2,(H,14,15)
InChIKeyCAXURZQIFCRNGG-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.44
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 60856807) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
PubChem CID60856807
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)CN1CCC(CNc2nccs2)C1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)7-16-3-1-8(6-16)5-15-9-14-2-4-17-9/h2,4,8H,1,3,5-7H2,(H,14,15)
InChIKeyCAXURZQIFCRNGG-UHFFFAOYSA-N
XLogP2.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-thiazol-2-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (CID 60856807) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine is FC(F)(F)CN1CCC(CNc2nccs2)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is CAXURZQIFCRNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)7-16-3-1-8(6-16)5-15-9-14-2-4-17-9/h2,4,8H,1,3,5-7H2,(H,14,15).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 265.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 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-thiazol-2-amine is sourced from PubChem (CID 60856807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).