5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole

C8H14N2O3S — CID 66641574

IUPAC5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole
SMILESCCc1nc(C)c(CCON(O)O)s1
InChIInChI=1S/C8H14N2O3S/c1-3-8-9-6(2)7(14-8)4-5-13-10(11)12/h11-12H,3-5H2,1-2H3
InChIKeyVTOMNLAMDNYSCK-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.57
Rot. Bonds5

About 5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole

5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole (PubChem CID 66641574) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole
PubChem CID66641574
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole
SMILESCCc1nc(C)c(CCON(O)O)s1
InChIInChI=1S/C8H14N2O3S/c1-3-8-9-6(2)7(14-8)4-5-13-10(11)12/h11-12H,3-5H2,1-2H3
InChIKeyVTOMNLAMDNYSCK-UHFFFAOYSA-N
XLogP1.57
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole (CID 66641574) is 5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole is CCc1nc(C)c(CCON(O)O)s1.
What is the InChIKey of 5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole?
The InChIKey is VTOMNLAMDNYSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-3-8-9-6(2)7(14-8)4-5-13-10(11)12/h11-12H,3-5H2,1-2H3.
What are the key properties of 5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole?
5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole has a molecular weight of 218.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole is sourced from PubChem (CID 66641574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).