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

C19H28N4S — CID 71855479

IUPACN-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCN1CCN(c2ccccc2CNCCc2csc(C)n2)CC1
InChIInChI=1S/C19H28N4S/c1-3-22-10-12-23(13-11-22)19-7-5-4-6-17(19)14-20-9-8-18-15-24-16(2)21-18/h4-7,15,20H,3,8-14H2,1-2H3
InChIKeyXDGDRWYSCYNOIK-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.93
Rot. Bonds7

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

N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 71855479) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID71855479
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCN1CCN(c2ccccc2CNCCc2csc(C)n2)CC1
InChIInChI=1S/C19H28N4S/c1-3-22-10-12-23(13-11-22)19-7-5-4-6-17(19)14-20-9-8-18-15-24-16(2)21-18/h4-7,15,20H,3,8-14H2,1-2H3
InChIKeyXDGDRWYSCYNOIK-UHFFFAOYSA-N
XLogP2.93
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113222746
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060169
N-[(2-cyclopropylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103739282
2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzoic acid
CID 106036131
2-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzamide
CID 106045206
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
N-[(2-bromo-3-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114140284
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268
1-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111934632
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 102609539
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 71855479) is N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCN1CCN(c2ccccc2CNCCc2csc(C)n2)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is XDGDRWYSCYNOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c1-3-22-10-12-23(13-11-22)19-7-5-4-6-17(19)14-20-9-8-18-15-24-16(2)21-18/h4-7,15,20H,3,8-14H2,1-2H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 344.53 g/mol, XLogP of 2.93, 7 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)phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 71855479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).