1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione

C20H16N2O2S2 — CID 38113238

IUPAC1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(CSc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H16N2O2S2/c23-18-10-11-19(24)22(18)16-8-6-14(7-9-16)12-25-20-21-17(13-26-20)15-4-2-1-3-5-15/h1-9,13H,10-12H2
InChIKeyWHHMTDFTTMOLCT-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.76
Rot. Bonds5

About 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione

1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 38113238) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
PubChem CID38113238
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(CSc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C20H16N2O2S2/c23-18-10-11-19(24)22(18)16-8-6-14(7-9-16)12-25-20-21-17(13-26-20)15-4-2-1-3-5-15/h1-9,13H,10-12H2
InChIKeyWHHMTDFTTMOLCT-UHFFFAOYSA-N
XLogP4.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 29441723
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 36597806
4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
CID 71899247
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 16557500
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one
CID 1213294
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1265699
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568214
1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 119040973
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 112783039
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione (CID 38113238) is 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc(CSc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is WHHMTDFTTMOLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c23-18-10-11-19(24)22(18)16-8-6-14(7-9-16)12-25-20-21-17(13-26-20)15-4-2-1-3-5-15/h1-9,13H,10-12H2.
What are the key properties of 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione?
1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 380.49 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 38113238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).