1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine

C13H24N4S — CID 64543583

IUPAC1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCN1CCN(c2nc(C(C)NC)cs2)CC1C
InChIInChI=1S/C13H24N4S/c1-5-16-6-7-17(8-10(16)2)13-15-12(9-18-13)11(3)14-4/h9-11,14H,5-8H2,1-4H3
InChIKeyDKEFWPNCYSSBMT-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 64543583) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID64543583
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCN1CCN(c2nc(C(C)NC)cs2)CC1C
InChIInChI=1S/C13H24N4S/c1-5-16-6-7-17(8-10(16)2)13-15-12(9-18-13)11(3)14-4/h9-11,14H,5-8H2,1-4H3
InChIKeyDKEFWPNCYSSBMT-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-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 64543583) is 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine is CCN1CCN(c2nc(C(C)NC)cs2)CC1C.
What is the InChIKey of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is DKEFWPNCYSSBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-16-6-7-17(8-10(16)2)13-15-12(9-18-13)11(3)14-4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine 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-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 64543583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).