1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one

C15H24N4OS — CID 47524156

IUPAC1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1csc(N2CCN(CCCN3CCCC3=O)CC2)n1
InChIInChI=1S/C15H24N4OS/c1-13-12-21-15(16-13)19-10-8-17(9-11-19)5-3-7-18-6-2-4-14(18)20/h12H,2-11H2,1H3
InChIKeyXHQKJMMSNKHZSI-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.59
Rot. Bonds5

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

1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 47524156) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID47524156
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1csc(N2CCN(CCCN3CCCC3=O)CC2)n1
InChIInChI=1S/C15H24N4OS/c1-13-12-21-15(16-13)19-10-8-17(9-11-19)5-3-7-18-6-2-4-14(18)20/h12H,2-11H2,1H3
InChIKeyXHQKJMMSNKHZSI-UHFFFAOYSA-N
XLogP1.59
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one (CID 47524156) is 1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one is Cc1csc(N2CCN(CCCN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is XHQKJMMSNKHZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-13-12-21-15(16-13)19-10-8-17(9-11-19)5-3-7-18-6-2-4-14(18)20/h12H,2-11H2,1H3.
What are the key properties of 1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 308.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 47524156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).