1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride

C16H18ClN3O3S — CID 72720284

IUPAC1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCOc1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)c(C)c1.Cl
InChIInChI=1S/C16H17N3O3S.ClH/c1-10-7-12(22-2)3-4-13(10)18-16-17-11(9-23-16)8-19-14(20)5-6-15(19)21;/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18);1H
InChIKeyGVEBXFHUIAOPNG-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.27
Rot. Bonds5

About 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride

1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 72720284) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
PubChem CID72720284
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCOc1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)c(C)c1.Cl
InChIInChI=1S/C16H17N3O3S.ClH/c1-10-7-12(22-2)3-4-13(10)18-16-17-11(9-23-16)8-19-14(20)5-6-15(19)21;/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18);1H
InChIKeyGVEBXFHUIAOPNG-UHFFFAOYSA-N
XLogP3.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride (CID 72720284) is 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride is COc1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)c(C)c1.Cl.
What is the InChIKey of 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is GVEBXFHUIAOPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S.ClH/c1-10-7-12(22-2)3-4-13(10)18-16-17-11(9-23-16)8-19-14(20)5-6-15(19)21;/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18);1H.
What are the key properties of 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?
1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 367.86 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 72720284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).