N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H16F3N3S — CID 55220651

IUPACN-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2cscn2)CC1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)7-17-3-1-9(2-4-17)15-5-10-6-18-8-16-10/h6,8-9,15H,1-5,7H2
InChIKeyQGRZTYJXNHHSFN-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.26
Rot. Bonds4

About N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 55220651) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID55220651
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2cscn2)CC1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)7-17-3-1-9(2-4-17)15-5-10-6-18-8-16-10/h6,8-9,15H,1-5,7H2
InChIKeyQGRZTYJXNHHSFN-UHFFFAOYSA-N
XLogP2.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.26
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-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 55220651) is N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCc2cscn2)CC1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is QGRZTYJXNHHSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c12-11(13,14)7-17-3-1-9(2-4-17)15-5-10-6-18-8-16-10/h6,8-9,15H,1-5,7H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 279.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 55220651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).