N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine

C13H21F3N4S — CID 64542348

IUPACN-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C13H21F3N4S/c1-3-17-10(2)11-8-21-12(18-11)20-6-4-19(5-7-20)9-13(14,15)16/h8,10,17H,3-7,9H2,1-2H3
InChIKeyJWYVLUMHCXWZCC-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine

N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 64542348) has the molecular formula C13H21F3N4S and a molecular weight of 322.40 g/mol. Its IUPAC name is N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine
PubChem CID64542348
Molecular FormulaC13H21F3N4S
Molecular Weight322.40 g/mol
Exact Mass322.14
IUPAC NameN-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C13H21F3N4S/c1-3-17-10(2)11-8-21-12(18-11)20-6-4-19(5-7-20)9-13(14,15)16/h8,10,17H,3-7,9H2,1-2H3
InChIKeyJWYVLUMHCXWZCC-UHFFFAOYSA-N
XLogP2.50
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine (CID 64542348) is N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine is CCNC(C)c1csc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is JWYVLUMHCXWZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4S/c1-3-17-10(2)11-8-21-12(18-11)20-6-4-19(5-7-20)9-13(14,15)16/h8,10,17H,3-7,9H2,1-2H3.
What are the key properties of N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine?
N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 322.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64542348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).