3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

C12H19N3O3S — CID 43415622

IUPAC3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H19N3O3S/c1-10-9-19-12(18)15(10)8-11(17)14-4-2-13(3-5-14)6-7-16/h9,16H,2-8H2,1H3
InChIKeyAXVPQEPXSDLXNI-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.65
Rot. Bonds4

About 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43415622) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43415622
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H19N3O3S/c1-10-9-19-12(18)15(10)8-11(17)14-4-2-13(3-5-14)6-7-16/h9,16H,2-8H2,1H3
InChIKeyAXVPQEPXSDLXNI-UHFFFAOYSA-N
XLogP-0.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (CID 43415622) is 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is AXVPQEPXSDLXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-10-9-19-12(18)15(10)8-11(17)14-4-2-13(3-5-14)6-7-16/h9,16H,2-8H2,1H3.
What are the key properties of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 285.37 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43415622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).