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

C14H18N2O3S — CID 66641593

IUPAC5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(CCON(O)O)s2)cc1C
InChIInChI=1S/C14H18N2O3S/c1-9-4-5-12(8-10(9)2)14-15-11(3)13(20-14)6-7-19-16(17)18/h4-5,8,17-18H,6-7H2,1-3H3
InChIKeyJDCQGAAWMZFGMZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.29
Rot. Bonds5

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

5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole (PubChem CID 66641593) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole
PubChem CID66641593
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(CCON(O)O)s2)cc1C
InChIInChI=1S/C14H18N2O3S/c1-9-4-5-12(8-10(9)2)14-15-11(3)13(20-14)6-7-19-16(17)18/h4-5,8,17-18H,6-7H2,1-3H3
InChIKeyJDCQGAAWMZFGMZ-UHFFFAOYSA-N
XLogP3.29
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.29
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-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole (CID 66641593) is 5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole is Cc1ccc(-c2nc(C)c(CCON(O)O)s2)cc1C.
What is the InChIKey of 5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole?
The InChIKey is JDCQGAAWMZFGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-4-5-12(8-10(9)2)14-15-11(3)13(20-14)6-7-19-16(17)18/h4-5,8,17-18H,6-7H2,1-3H3.
What are the key properties of 5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole?
5-[2-(dihydroxyamino)oxyethyl]-2-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole has a molecular weight of 294.38 g/mol, XLogP of 3.29, 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-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 66641593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).