4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one

C12H20N4OS — CID 64695613

IUPAC4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one
SMILESCCNC(C)c1cnc(N2CCN(C)C(=O)C2)s1
InChIInChI=1S/C12H20N4OS/c1-4-13-9(2)10-7-14-12(18-10)16-6-5-15(3)11(17)8-16/h7,9,13H,4-6,8H2,1-3H3
InChIKeyHDCWMIVDZJHHPY-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.09
Rot. Bonds4

About 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one

4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one (PubChem CID 64695613) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one
PubChem CID64695613
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one
SMILESCCNC(C)c1cnc(N2CCN(C)C(=O)C2)s1
InChIInChI=1S/C12H20N4OS/c1-4-13-9(2)10-7-14-12(18-10)16-6-5-15(3)11(17)8-16/h7,9,13H,4-6,8H2,1-3H3
InChIKeyHDCWMIVDZJHHPY-UHFFFAOYSA-N
XLogP1.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one (CID 64695613) is 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one is CCNC(C)c1cnc(N2CCN(C)C(=O)C2)s1.
What is the InChIKey of 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one?
The InChIKey is HDCWMIVDZJHHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-13-9(2)10-7-14-12(18-10)16-6-5-15(3)11(17)8-16/h7,9,13H,4-6,8H2,1-3H3.
What are the key properties of 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one?
4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one has a molecular weight of 268.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64695613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).