N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H22F3N3S — CID 61193334

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1nc(C)c(C(C)NC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C14H22F3N3S/c1-9-13(21-11(3)18-9)10(2)19-12-4-6-20(7-5-12)8-14(15,16)17/h10,12,19H,4-8H2,1-3H3
InChIKeyGYFBJMIGBAVFCG-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.44
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 61193334) has the molecular formula C14H22F3N3S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID61193334
Molecular FormulaC14H22F3N3S
Molecular Weight321.41 g/mol
Exact Mass321.15
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1nc(C)c(C(C)NC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C14H22F3N3S/c1-9-13(21-11(3)18-9)10(2)19-12-4-6-20(7-5-12)8-14(15,16)17/h10,12,19H,4-8H2,1-3H3
InChIKeyGYFBJMIGBAVFCG-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 61193334) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1nc(C)c(C(C)NC2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is GYFBJMIGBAVFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3S/c1-9-13(21-11(3)18-9)10(2)19-12-4-6-20(7-5-12)8-14(15,16)17/h10,12,19H,4-8H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 321.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 61193334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).