N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine

C13H21F3N4S — CID 62967415

IUPACN-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H21F3N4S/c1-10(2)17-7-11-8-18-12(21-11)20-5-3-19(4-6-20)9-13(14,15)16/h8,10,17H,3-7,9H2,1-2H3
InChIKeyBEWWBRRRJWSALA-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.33
Rot. Bonds5

About N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62967415) has the molecular formula C13H21F3N4S and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62967415
Molecular FormulaC13H21F3N4S
Molecular Weight322.40 g/mol
Exact Mass322.14
IUPAC NameN-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H21F3N4S/c1-10(2)17-7-11-8-18-12(21-11)20-5-3-19(4-6-20)9-13(14,15)16/h8,10,17H,3-7,9H2,1-2H3
InChIKeyBEWWBRRRJWSALA-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967414
N-[[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751389
N-methyl-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 62967417
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 55116776
N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751801
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62752073
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053
N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62752264
4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
CID 62750906
1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751244
N-[[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82425037
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55113480

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62967415) is N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is BEWWBRRRJWSALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4S/c1-10(2)17-7-11-8-18-12(21-11)20-5-3-19(4-6-20)9-13(14,15)16/h8,10,17H,3-7,9H2,1-2H3.
What are the key properties of N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 322.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62967415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).