3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione

C12H17N3O2S — CID 54960598

IUPAC3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nc(C(C)(C)C)cs2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-12(2,3)8-6-18-11(14-8)13-7-5-9(16)15(4)10(7)17/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyYZNILPZBRCPBFN-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.61
Rot. Bonds2

About 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione

3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 54960598) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID54960598
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nc(C(C)(C)C)cs2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-12(2,3)8-6-18-11(14-8)13-7-5-9(16)15(4)10(7)17/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyYZNILPZBRCPBFN-UHFFFAOYSA-N
XLogP1.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 54960598) is 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2nc(C(C)(C)C)cs2)C1=O.
What is the InChIKey of 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is YZNILPZBRCPBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-12(2,3)8-6-18-11(14-8)13-7-5-9(16)15(4)10(7)17/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 267.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 54960598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).