1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

C18H23N3OS — CID 48826022

IUPAC1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCCc1nc(CNC(C)c2cccc(N3CCCC3=O)c2)cs1
InChIInChI=1S/C18H23N3OS/c1-3-17-20-15(12-23-17)11-19-13(2)14-6-4-7-16(10-14)21-9-5-8-18(21)22/h4,6-7,10,12-13,19H,3,5,8-9,11H2,1-2H3
InChIKeyAFLVDVSESFUXCY-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.68
Rot. Bonds6

About 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 48826022) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID48826022
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCCc1nc(CNC(C)c2cccc(N3CCCC3=O)c2)cs1
InChIInChI=1S/C18H23N3OS/c1-3-17-20-15(12-23-17)11-19-13(2)14-6-4-7-16(10-14)21-9-5-8-18(21)22/h4,6-7,10,12-13,19H,3,5,8-9,11H2,1-2H3
InChIKeyAFLVDVSESFUXCY-UHFFFAOYSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 48826022) is 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is CCc1nc(CNC(C)c2cccc(N3CCCC3=O)c2)cs1.
What is the InChIKey of 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is AFLVDVSESFUXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-17-20-15(12-23-17)11-19-13(2)14-6-4-7-16(10-14)21-9-5-8-18(21)22/h4,6-7,10,12-13,19H,3,5,8-9,11H2,1-2H3.
What are the key properties of 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 329.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 48826022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).