5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole

C8H14N2O4S — CID 66641645

IUPAC5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CCOCON(O)O)s1
InChIInChI=1S/C8H14N2O4S/c1-6-8(15-7(2)9-6)3-4-13-5-14-10(11)12/h11-12H,3-5H2,1-2H3
InChIKeyNQDAWNBDAGYAMB-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.29
Rot. Bonds6

About 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole

5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 66641645) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole
PubChem CID66641645
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CCOCON(O)O)s1
InChIInChI=1S/C8H14N2O4S/c1-6-8(15-7(2)9-6)3-4-13-5-14-10(11)12/h11-12H,3-5H2,1-2H3
InChIKeyNQDAWNBDAGYAMB-UHFFFAOYSA-N
XLogP1.29
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole (CID 66641645) is 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CCOCON(O)O)s1.
What is the InChIKey of 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is NQDAWNBDAGYAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-6-8(15-7(2)9-6)3-4-13-5-14-10(11)12/h11-12H,3-5H2,1-2H3.
What are the key properties of 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole?
5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 234.28 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(dihydroxyamino)oxymethoxy]ethyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 66641645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).