[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine

C12H22N4S — CID 104840997

IUPAC[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(C2CN(C)CCN2C)sc1CN
InChIInChI=1S/C12H22N4S/c1-4-9-11(7-13)17-12(14-9)10-8-15(2)5-6-16(10)3/h10H,4-8,13H2,1-3H3
InChIKeyDXEWVNLGWNNHNP-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.08
Rot. Bonds3

About [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine

[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine (PubChem CID 104840997) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
PubChem CID104840997
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(C2CN(C)CCN2C)sc1CN
InChIInChI=1S/C12H22N4S/c1-4-9-11(7-13)17-12(14-9)10-8-15(2)5-6-16(10)3/h10H,4-8,13H2,1-3H3
InChIKeyDXEWVNLGWNNHNP-UHFFFAOYSA-N
XLogP1.08
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104842031
[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362005
N-[[2-(1,4-dimethylpiperazin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364492
[4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 113459578
(2-cyclobutyl-4-ethyl-1,3-thiazol-5-yl)methanamine
CID 104840931
5-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234453
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362262
1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364710
[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol
CID 79666984
N-[[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79666713
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 115562457
[2-(1,4-dimethylpiperazin-2-yl)pyrimidin-4-yl]methanamine
CID 79666220

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine (CID 104840997) is [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine is CCc1nc(C2CN(C)CCN2C)sc1CN.
What is the InChIKey of [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is DXEWVNLGWNNHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-9-11(7-13)17-12(14-9)10-8-15(2)5-6-16(10)3/h10H,4-8,13H2,1-3H3.
What are the key properties of [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 104840997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).