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

C16H17N3O3S — CID 72720285

IUPAC1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)c(C)c1
InChIInChI=1S/C16H17N3O3S/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)
InChIKeyIGPYXVRHJIRJQW-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.85
Rot. Bonds5

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

1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 72720285) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione
PubChem CID72720285
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)c(C)c1
InChIInChI=1S/C16H17N3O3S/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)
InChIKeyIGPYXVRHJIRJQW-UHFFFAOYSA-N
XLogP2.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 72720284
1-[[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 72720282
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039914
ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 80574636
4-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 82179844
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
4-(2-aminoethyl)-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 28711219
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30941542
5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one
CID 75436028
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27377933
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 959115
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 62872274

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?
The IUPAC name of 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione (CID 72720285) is 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione is COc1ccc(Nc2nc(CN3C(=O)CCC3=O)cs2)c(C)c1.
What is the InChIKey of 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is IGPYXVRHJIRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/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).
What are the key properties of 1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
1-[[2-(4-methoxy-2-methylanilino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 331.40 g/mol, XLogP of 2.85, 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 is sourced from PubChem (CID 72720285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).