5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine

C11H20N4O3S — CID 106964756

IUPAC5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC2CCS(=O)CC2)o1
InChIInChI=1S/C11H20N4O3S/c1-17-5-4-12-8-10-14-15-11(18-10)13-9-2-6-19(16)7-3-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyWOAVSWITNXOOLL-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.13
Rot. Bonds7

About 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964756) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106964756
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NC2CCS(=O)CC2)o1
InChIInChI=1S/C11H20N4O3S/c1-17-5-4-12-8-10-14-15-11(18-10)13-9-2-6-19(16)7-3-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyWOAVSWITNXOOLL-UHFFFAOYSA-N
XLogP0.13
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine (CID 106964756) is 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NC2CCS(=O)CC2)o1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WOAVSWITNXOOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-17-5-4-12-8-10-14-15-11(18-10)13-9-2-6-19(16)7-3-9/h9,12H,2-8H2,1H3,(H,13,15).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 288.37 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-(1-oxothian-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).