N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H22N4S — CID 62752073

IUPACN-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCN(CC)CC2)s1
InChIInChI=1S/C12H22N4S/c1-3-13-9-11-10-14-12(17-11)16-7-5-15(4-2)6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyZKGJKCAPADIMSA-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.39
Rot. Bonds5

About N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62752073) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62752073
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCN(CC)CC2)s1
InChIInChI=1S/C12H22N4S/c1-3-13-9-11-10-14-12(17-11)16-7-5-15(4-2)6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyZKGJKCAPADIMSA-UHFFFAOYSA-N
XLogP1.39
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine 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-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 55116776
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55113480
N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967414
N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62751920
N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 55160506
N-[[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62753450
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 64581416
N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62967415
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
N-[[2-(azepan-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425438
5-[(4-bromopyrazol-1-yl)methyl]-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
CID 133498199
1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751244

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62752073) is N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(N2CCN(CC)CC2)s1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is ZKGJKCAPADIMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-13-9-11-10-14-12(17-11)16-7-5-15(4-2)6-8-16/h10,13H,3-9H2,1-2H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62752073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).