3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione

C14H17N3O2S — CID 77039891

IUPAC3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione
SMILESCc1nc(N2CCCCC2)sc1C=C1CC(=O)NC1=O
InChIInChI=1S/C14H17N3O2S/c1-9-11(7-10-8-12(18)16-13(10)19)20-14(15-9)17-5-3-2-4-6-17/h7H,2-6,8H2,1H3,(H,16,18,19)
InChIKeyFATWMQMINKLZNB-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.87
Rot. Bonds2

About 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione

3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione (PubChem CID 77039891) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione
PubChem CID77039891
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione
SMILESCc1nc(N2CCCCC2)sc1C=C1CC(=O)NC1=O
InChIInChI=1S/C14H17N3O2S/c1-9-11(7-10-8-12(18)16-13(10)19)20-14(15-9)17-5-3-2-4-6-17/h7H,2-6,8H2,1H3,(H,16,18,19)
InChIKeyFATWMQMINKLZNB-UHFFFAOYSA-N
XLogP1.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione (CID 77039891) is 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione is Cc1nc(N2CCCCC2)sc1C=C1CC(=O)NC1=O.
What is the InChIKey of 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is FATWMQMINKLZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-11(7-10-8-12(18)16-13(10)19)20-14(15-9)17-5-3-2-4-6-17/h7H,2-6,8H2,1H3,(H,16,18,19).
What are the key properties of 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione?
3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 291.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 77039891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).