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

C12H22N4S — CID 60701292

IUPAC2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNCCN2CCN(C)CC2)cs1
InChIInChI=1S/C12H22N4S/c1-11-14-12(10-17-11)9-13-3-4-16-7-5-15(2)6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyVIEJZCQLMACAOC-UHFFFAOYSA-N
MW254.40 g/mol
LogP0.79
Rot. Bonds5

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

2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 60701292) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID60701292
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CNCCN2CCN(C)CC2)cs1
InChIInChI=1S/C12H22N4S/c1-11-14-12(10-17-11)9-13-3-4-16-7-5-15(2)6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyVIEJZCQLMACAOC-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
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-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28781366
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 112730158
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 112582147
N'-butyl-N'-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 115623262
N-[2-(1,4-diazepan-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106052580
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261715
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 60701292) is 2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1nc(CNCCN2CCN(C)CC2)cs1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is VIEJZCQLMACAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-11-14-12(10-17-11)9-13-3-4-16-7-5-15(2)6-8-16/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 60701292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).