3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione

C14H18BrN3O2S — CID 60784180

IUPAC3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ncc(Br)s2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C14H18BrN3O2S/c15-11-8-16-14(21-11)17-10-7-12(19)18(13(10)20)9-5-3-1-2-4-6-9/h8-10H,1-7H2,(H,16,17)
InChIKeyGYUGSKMCLHDVCL-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.17
Rot. Bonds3

About 3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione

3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione (PubChem CID 60784180) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is 3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione
PubChem CID60784180
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC Name3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ncc(Br)s2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C14H18BrN3O2S/c15-11-8-16-14(21-11)17-10-7-12(19)18(13(10)20)9-5-3-1-2-4-6-9/h8-10H,1-7H2,(H,16,17)
InChIKeyGYUGSKMCLHDVCL-UHFFFAOYSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.17
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-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione (CID 60784180) is 3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione is O=C1CC(Nc2ncc(Br)s2)C(=O)N1C1CCCCCC1.
What is the InChIKey of 3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione?
The InChIKey is GYUGSKMCLHDVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c15-11-8-16-14(21-11)17-10-7-12(19)18(13(10)20)9-5-3-1-2-4-6-9/h8-10H,1-7H2,(H,16,17).
What are the key properties of 3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione?
3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione has a molecular weight of 372.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-1,3-thiazol-2-yl)amino]-1-cycloheptylpyrrolidine-2,5-dione is sourced from PubChem (CID 60784180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).