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

C12H22N4S — CID 79666713

IUPACN-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2CN(C)CCN2C)n1
InChIInChI=1S/C12H22N4S/c1-4-13-7-10-9-17-12(14-10)11-8-15(2)5-6-16(11)3/h9,11,13H,4-8H2,1-3H3
InChIKeyYOBQPGZTDRNLBN-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.17
Rot. Bonds4

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

N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 79666713) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID79666713
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2CN(C)CCN2C)n1
InChIInChI=1S/C12H22N4S/c1-4-13-7-10-9-17-12(14-10)11-8-15(2)5-6-16(11)3/h9,11,13H,4-8H2,1-3H3
InChIKeyYOBQPGZTDRNLBN-UHFFFAOYSA-N
XLogP1.17
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol
CID 79666984
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
methyl 3-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107039750
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79663346
[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]methanol
CID 115088342
N-[[2-(1,4-dioxan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 65351420
3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline
CID 79667047
N-[[2-(1,4-dimethylpiperazin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364492
[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840997
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79088243

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 79666713) is N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(C2CN(C)CCN2C)n1.
What is the InChIKey of N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is YOBQPGZTDRNLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-13-7-10-9-17-12(14-10)11-8-15(2)5-6-16(11)3/h9,11,13H,4-8H2,1-3H3.
What are the key properties of N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79666713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).