(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione

C14H14N4O4S2 — CID 2008447

IUPAC(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C[C@@H](Sc3nnc(N)s3)C2=O)c1
InChIInChI=1S/C14H14N4O4S2/c1-21-8-3-7(4-9(5-8)22-2)18-11(19)6-10(12(18)20)23-14-17-16-13(15)24-14/h3-5,10H,6H2,1-2H3,(H2,15,16)/t10-/m1/s1
InChIKeyOSOSCTKVNVHTFQ-SNVBAGLBSA-N
MW366.42 g/mol
LogP1.56
Rot. Bonds5

About (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2008447) has the molecular formula C14H14N4O4S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2008447
Molecular FormulaC14H14N4O4S2
Molecular Weight366.42 g/mol
Exact Mass366.05
IUPAC Name(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C[C@@H](Sc3nnc(N)s3)C2=O)c1
InChIInChI=1S/C14H14N4O4S2/c1-21-8-3-7(4-9(5-8)22-2)18-11(19)6-10(12(18)20)23-14-17-16-13(15)24-14/h3-5,10H,6H2,1-2H3,(H2,15,16)/t10-/m1/s1
InChIKeyOSOSCTKVNVHTFQ-SNVBAGLBSA-N
XLogP1.56
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2888938
3-(4-aminophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 53269707
1-(3-methoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 3135980
(3R)-3-(4-chlorophenyl)sulfanyl-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 1344999
(3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 1078930
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopentylpyrrolidine-2,5-dione
CID 43638454
(3S)-3-(3-aminophenyl)sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 98470653
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 12689585
3-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 2891000
3-(4-aminophenyl)sulfanyl-1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 53269691
1-(3-chloro-2-methylphenyl)-3-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidine-2,5-dione
CID 4876406
(3S)-3-(4,7-dimethylquinazolin-2-yl)sulfanyl-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1212723

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione (CID 2008447) is (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione is COc1cc(OC)cc(N2C(=O)C[C@@H](Sc3nnc(N)s3)C2=O)c1.
What is the InChIKey of (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is OSOSCTKVNVHTFQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N4O4S2/c1-21-8-3-7(4-9(5-8)22-2)18-11(19)6-10(12(18)20)23-14-17-16-13(15)24-14/h3-5,10H,6H2,1-2H3,(H2,15,16)/t10-/m1/s1.
What are the key properties of (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 366.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2008447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).