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

C14H23N3O3S — CID 43393814

IUPAC3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H23N3O3S/c1-12-11-21-14(20)17(12)4-2-3-13(19)16-7-5-15(6-8-16)9-10-18/h11,18H,2-10H2,1H3
InChIKeyHRHXFGPQEDKJKL-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.13
Rot. Bonds6

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

3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43393814) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43393814
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H23N3O3S/c1-12-11-21-14(20)17(12)4-2-3-13(19)16-7-5-15(6-8-16)9-10-18/h11,18H,2-10H2,1H3
InChIKeyHRHXFGPQEDKJKL-UHFFFAOYSA-N
XLogP0.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one (CID 43393814) is 3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is HRHXFGPQEDKJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12-11-21-14(20)17(12)4-2-3-13(19)16-7-5-15(6-8-16)9-10-18/h11,18H,2-10H2,1H3.
What are the key properties of 3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one?
3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 313.42 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43393814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).