4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one

C10H15N5O3S — CID 106384428

IUPAC4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C10H15N5O3S/c1-17-3-2-11-5-8-14-15-9(18-8)12-4-7-6-19-10(16)13-7/h6,11H,2-5H2,1H3,(H,12,15)(H,13,16)
InChIKeyGQJIUWWHMDEVCC-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.17
Rot. Bonds8

About 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106384428) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106384428
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCNCc1nnc(NCc2csc(=O)[nH]2)o1
InChIInChI=1S/C10H15N5O3S/c1-17-3-2-11-5-8-14-15-9(18-8)12-4-7-6-19-10(16)13-7/h6,11H,2-5H2,1H3,(H,12,15)(H,13,16)
InChIKeyGQJIUWWHMDEVCC-UHFFFAOYSA-N
XLogP0.17
TPSA105.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106384428) is 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is COCCNCc1nnc(NCc2csc(=O)[nH]2)o1.
What is the InChIKey of 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GQJIUWWHMDEVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-17-3-2-11-5-8-14-15-9(18-8)12-4-7-6-19-10(16)13-7/h6,11H,2-5H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 285.33 g/mol, XLogP of 0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106384428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).