2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C11H14N4O2S — CID 114513897

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(Cc3nnc(N)s3)C(=O)C2C1
InChIInChI=1S/C11H14N4O2S/c1-5-2-6-7(3-5)10(17)15(9(6)16)4-8-13-14-11(12)18-8/h5-7H,2-4H2,1H3,(H2,12,14)
InChIKeyLOSUQVPPEPQWRY-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.65
Rot. Bonds2

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513897) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513897
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCC1CC2C(=O)N(Cc3nnc(N)s3)C(=O)C2C1
InChIInChI=1S/C11H14N4O2S/c1-5-2-6-7(3-5)10(17)15(9(6)16)4-8-13-14-11(12)18-8/h5-7H,2-4H2,1H3,(H2,12,14)
InChIKeyLOSUQVPPEPQWRY-UHFFFAOYSA-N
XLogP0.65
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513888
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2,5-dione
CID 3662679
3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 80609213
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one
CID 80608552
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one
CID 104680382
5-[(2,4-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80606117
2-[(4-amino-2-pyridinyl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513880
3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanamide
CID 114513834
2-[(5-amino-2-chlorophenyl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512183
3-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]thiophene-2-carboxylic acid
CID 114512714
2-(2-bromoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512941
5-methyl-2-prop-2-ynyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392988

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513897) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CC1CC2C(=O)N(Cc3nnc(N)s3)C(=O)C2C1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is LOSUQVPPEPQWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-5-2-6-7(3-5)10(17)15(9(6)16)4-8-13-14-11(12)18-8/h5-7H,2-4H2,1H3,(H2,12,14).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 266.33 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).