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

C18H23N3O2S — CID 2338875

IUPAC1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
SMILESCOc1ccc(/N=c2\scc(C)n2CCCN2CCCC2=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-14-13-24-18(19-15-6-8-16(23-2)9-7-15)21(14)12-4-11-20-10-3-5-17(20)22/h6-9,13H,3-5,10-12H2,1-2H3/b19-18-
InChIKeySJAQSSNGRCNYEM-HNENSFHCSA-N
MW345.47 g/mol
LogP3.11
Rot. Bonds6

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

1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one (PubChem CID 2338875) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
PubChem CID2338875
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one
SMILESCOc1ccc(/N=c2\scc(C)n2CCCN2CCCC2=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-14-13-24-18(19-15-6-8-16(23-2)9-7-15)21(14)12-4-11-20-10-3-5-17(20)22/h6-9,13H,3-5,10-12H2,1-2H3/b19-18-
InChIKeySJAQSSNGRCNYEM-HNENSFHCSA-N
XLogP3.11
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one (CID 2338875) is 1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one is COc1ccc(/N=c2\scc(C)n2CCCN2CCCC2=O)cc1.
What is the InChIKey of 1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
The InChIKey is SJAQSSNGRCNYEM-HNENSFHCSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-13-24-18(19-15-6-8-16(23-2)9-7-15)21(14)12-4-11-20-10-3-5-17(20)22/h6-9,13H,3-5,10-12H2,1-2H3/b19-18-.
What are the key properties of 1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one?
1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one has a molecular weight of 345.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 2338875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).