3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione

C13H17N3O3S — CID 141156645

IUPAC3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione
SMILESCCNc1scc2c1CN(C1(C)CCC(=O)NC1=O)O2
InChIInChI=1S/C13H17N3O3S/c1-3-14-11-8-6-16(19-9(8)7-20-11)13(2)5-4-10(17)15-12(13)18/h7,14H,3-6H2,1-2H3,(H,15,17,18)
InChIKeyWHFAPLBACZAMHZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.48
Rot. Bonds3

About 3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione

3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione (PubChem CID 141156645) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione
PubChem CID141156645
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione
SMILESCCNc1scc2c1CN(C1(C)CCC(=O)NC1=O)O2
InChIInChI=1S/C13H17N3O3S/c1-3-14-11-8-6-16(19-9(8)7-20-11)13(2)5-4-10(17)15-12(13)18/h7,14H,3-6H2,1-2H3,(H,15,17,18)
InChIKeyWHFAPLBACZAMHZ-UHFFFAOYSA-N
XLogP1.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione?
The IUPAC name of 3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione (CID 141156645) is 3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione is CCNc1scc2c1CN(C1(C)CCC(=O)NC1=O)O2.
What is the InChIKey of 3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione?
The InChIKey is WHFAPLBACZAMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-14-11-8-6-16(19-9(8)7-20-11)13(2)5-4-10(17)15-12(13)18/h7,14H,3-6H2,1-2H3,(H,15,17,18).
What are the key properties of 3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione?
3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione has a molecular weight of 295.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)-3H-thieno[3,4-d][1,2]oxazol-2-yl]-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 141156645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).