N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

C11H16F3N3S — CID 63001140

IUPACN-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESFC(F)(F)CN1CCC(CNCc2nccs2)C1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)8-17-3-1-9(7-17)5-15-6-10-16-2-4-18-10/h2,4,9,15H,1,3,5-8H2
InChIKeyWSOMEDCQKUAXLU-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.12
Rot. Bonds5

About N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (PubChem CID 63001140) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
PubChem CID63001140
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESFC(F)(F)CN1CCC(CNCc2nccs2)C1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)8-17-3-1-9(7-17)5-15-6-10-16-2-4-18-10/h2,4,9,15H,1,3,5-8H2
InChIKeyWSOMEDCQKUAXLU-UHFFFAOYSA-N
XLogP2.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (CID 63001140) is N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is FC(F)(F)CN1CCC(CNCc2nccs2)C1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is WSOMEDCQKUAXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c12-11(13,14)8-17-3-1-9(7-17)5-15-6-10-16-2-4-18-10/h2,4,9,15H,1,3,5-8H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 279.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63001140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).