3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione

C17H16N4O4S2 — CID 158559504

IUPAC3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
SMILESCc1nnsc1C(=O)CCc1scc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H16N4O4S2/c1-8-15(27-20-19-8)12(22)3-4-13-9-6-21(17(25)10(9)7-26-13)11-2-5-14(23)18-16(11)24/h7,11H,2-6H2,1H3,(H,18,23,24)
InChIKeyLICYSCXNSPFNSU-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.48
Rot. Bonds5

About 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione

3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione (PubChem CID 158559504) has the molecular formula C17H16N4O4S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
PubChem CID158559504
Molecular FormulaC17H16N4O4S2
Molecular Weight404.47 g/mol
Exact Mass404.06
IUPAC Name3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
SMILESCc1nnsc1C(=O)CCc1scc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H16N4O4S2/c1-8-15(27-20-19-8)12(22)3-4-13-9-6-21(17(25)10(9)7-26-13)11-2-5-14(23)18-16(11)24/h7,11H,2-6H2,1H3,(H,18,23,24)
InChIKeyLICYSCXNSPFNSU-UHFFFAOYSA-N
XLogP1.48
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.48
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-[6-oxo-3-[3-oxo-3-(1,3-thiazol-2-yl)propyl]-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 162185878
3-[3-[4-[4-(dimethylamino)phenyl]-3,4-dioxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 161257021
N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide
CID 155761911
3-[3-[5-(2,6-dichlorophenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 167632308
3-[3-[(4-methylphenoxy)methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 163269119
3-[3-[6-(3-chloro-4-methylphenyl)-3-oxohexyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione;3-[3-[4-(4,5-dimethylpyrimidin-2-yl)-3-oxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 167616967
N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-(4-hydroxyphenyl)-2-oxoacetamide
CID 155316294
1-(4-tert-butylphenyl)-3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]urea
CID 155316217
methyl 3-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methylcarbamoylamino]thiophene-2-carboxylate
CID 155316197
2-(4-chlorophenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-2-oxoacetamide
CID 155316321
3-[3-[[(4-tert-butylphenyl)sulfanylamino]methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 155354867
1-(4-tert-butylphenyl)-N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]cyclopropane-1-carboxamide
CID 155316158

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione (CID 158559504) is 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione is Cc1nnsc1C(=O)CCc1scc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
The InChIKey is LICYSCXNSPFNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S2/c1-8-15(27-20-19-8)12(22)3-4-13-9-6-21(17(25)10(9)7-26-13)11-2-5-14(23)18-16(11)24/h7,11H,2-6H2,1H3,(H,18,23,24).
What are the key properties of 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione?
3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione has a molecular weight of 404.47 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4-methylthiadiazol-5-yl)-3-oxopropyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 158559504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).