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

C13H24N4S — CID 64543177

IUPAC1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(N2CCN(C)C(C)C2)n1
InChIInChI=1S/C13H24N4S/c1-5-14-11(3)12-9-18-13(15-12)17-7-6-16(4)10(2)8-17/h9-11,14H,5-8H2,1-4H3
InChIKeyGGMCCCPFUOVKAL-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.95
Rot. Bonds4

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

1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 64543177) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID64543177
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(N2CCN(C)C(C)C2)n1
InChIInChI=1S/C13H24N4S/c1-5-14-11(3)12-9-18-13(15-12)17-7-6-16(4)10(2)8-17/h9-11,14H,5-8H2,1-4H3
InChIKeyGGMCCCPFUOVKAL-UHFFFAOYSA-N
XLogP1.95
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 64543177) is 1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(N2CCN(C)C(C)C2)n1.
What is the InChIKey of 1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is GGMCCCPFUOVKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-14-11(3)12-9-18-13(15-12)17-7-6-16(4)10(2)8-17/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 268.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 64543177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).