1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

C19H26N4O2S — CID 46956100

IUPAC1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESCc1nc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)c2sccn12
InChIInChI=1S/C19H26N4O2S/c1-14-20-18(19-23(14)12-13-26-19)15-6-10-22(11-7-15)17(25)5-3-9-21-8-2-4-16(21)24/h12-13,15H,2-11H2,1H3
InChIKeyLHTBNYAFBDQSRS-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.81
Rot. Bonds5

About 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one

1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one (PubChem CID 46956100) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
PubChem CID46956100
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESCc1nc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)c2sccn12
InChIInChI=1S/C19H26N4O2S/c1-14-20-18(19-23(14)12-13-26-19)15-6-10-22(11-7-15)17(25)5-3-9-21-8-2-4-16(21)24/h12-13,15H,2-11H2,1H3
InChIKeyLHTBNYAFBDQSRS-UHFFFAOYSA-N
XLogP2.81
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one (CID 46956100) is 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one is Cc1nc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)c2sccn12.
What is the InChIKey of 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is LHTBNYAFBDQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-20-18(19-23(14)12-13-26-19)15-6-10-22(11-7-15)17(25)5-3-9-21-8-2-4-16(21)24/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 374.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 46956100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).