3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

C19H17N5O4S — CID 178154935

IUPAC3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(Cc1nsc(-c2ccccc2)n1)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C19H17N5O4S/c1-23(10-14-20-18(29-22-14)11-5-3-2-4-6-11)13-9-16(26)24(19(13)28)12-7-8-15(25)21-17(12)27/h2-6,9,12H,7-8,10H2,1H3,(H,21,25,27)
InChIKeyBWWBDXDWUBWCLM-UHFFFAOYSA-N
MW411.44 g/mol
LogP0.69
Rot. Bonds5

About 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione

3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (PubChem CID 178154935) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
PubChem CID178154935
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
SMILESCN(Cc1nsc(-c2ccccc2)n1)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C19H17N5O4S/c1-23(10-14-20-18(29-22-14)11-5-3-2-4-6-11)13-9-16(26)24(19(13)28)12-7-8-15(25)21-17(12)27/h2-6,9,12H,7-8,10H2,1H3,(H,21,25,27)
InChIKeyBWWBDXDWUBWCLM-UHFFFAOYSA-N
XLogP0.69
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[methyl-[[4-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154900
3-[3-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154861
3-[3-(N-methylanilino)-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 146628392
3-[3-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154829
3-[3-[[3-(3-cyclohexylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154851
6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100779
3-[3-[methyl-[[3-[3-(1,2-oxazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154722
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
tert-butyl N-[[3-[[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]amino]phenyl]methyl]-N-methylcarbamate
CID 168803116

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione (CID 178154935) is 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is CN(Cc1nsc(-c2ccccc2)n1)C1=CC(=O)N(C2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is BWWBDXDWUBWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-23(10-14-20-18(29-22-14)11-5-3-2-4-6-11)13-9-16(26)24(19(13)28)12-7-8-15(25)21-17(12)27/h2-6,9,12H,7-8,10H2,1H3,(H,21,25,27).
What are the key properties of 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione?
3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 411.44 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 178154935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).