1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C24H23N3O4S — CID 4536703

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc1
InChIInChI=1S/C24H23N3O4S/c1-2-15-3-5-16(6-4-15)19-14-32-24(25-19)26-23(29)17-11-22(28)27(13-17)18-7-8-20-21(12-18)31-10-9-30-20/h3-8,12,14,17H,2,9-11,13H2,1H3,(H,25,26,29)
InChIKeyBWFROWMJLCFTSS-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.14
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4536703) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4536703
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc1
InChIInChI=1S/C24H23N3O4S/c1-2-15-3-5-16(6-4-15)19-14-32-24(25-19)26-23(29)17-11-22(28)27(13-17)18-7-8-20-21(12-18)31-10-9-30-20/h3-8,12,14,17H,2,9-11,13H2,1H3,(H,25,26,29)
InChIKeyBWFROWMJLCFTSS-UHFFFAOYSA-N
XLogP4.14
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 24818334
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 5033819
N-(4-(4-Acetamidophenyl)thiazol-2-yl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 4326903
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4436991
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 9551891
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 16309570
N-[4-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 24464719
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-[2-(3,4-dimethoxy-phenylamino)-thiazol-4-yl]-6-methyl-1H-pyrimidine-2,4-dione
CID 44394768
N-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-4-(4-phenoxyphenyl)thiazol-2-amine
CID 44440593
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 5197182
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4801368
Ethyl 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16250910

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 4536703) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(-c2csc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BWFROWMJLCFTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-2-15-3-5-16(6-4-15)19-14-32-24(25-19)26-23(29)17-11-22(28)27(13-17)18-7-8-20-21(12-18)31-10-9-30-20/h3-8,12,14,17H,2,9-11,13H2,1H3,(H,25,26,29).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4536703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).