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

C10H17N3OS — CID 116622649

IUPAC3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCN1CCN(CCn2ccsc2=O)CC1
InChIInChI=1S/C10H17N3OS/c1-11-2-4-12(5-3-11)6-7-13-8-9-15-10(13)14/h8-9H,2-7H2,1H3
InChIKeyYNKYSCDPAQYRRU-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.16
Rot. Bonds3

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

3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 116622649) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
PubChem CID116622649
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCN1CCN(CCn2ccsc2=O)CC1
InChIInChI=1S/C10H17N3OS/c1-11-2-4-12(5-3-11)6-7-13-8-9-15-10(13)14/h8-9H,2-7H2,1H3
InChIKeyYNKYSCDPAQYRRU-UHFFFAOYSA-N
XLogP0.16
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(Diethylamino)ethyl]-1,3-thiazol-2-one
CID 104693541
3-(2-Piperazin-1-ylethyl)-1,3-thiazol-2-one
CID 63312548
3-[2-(Dimethylamino)ethyl]-1,3-thiazol-2-one
CID 115749761
3-(2-Piperidin-1-ylethyl)-1,3-thiazol-2-one
CID 115749765
3-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
CID 115886879
3-[2-(4-Ethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazol-2-one
CID 133729966

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one (CID 116622649) is 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one is CN1CCN(CCn2ccsc2=O)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is YNKYSCDPAQYRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-11-2-4-12(5-3-11)6-7-13-8-9-15-10(13)14/h8-9H,2-7H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 227.33 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 116622649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).