2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide

C10H14Cl3N3O3S — CID 88672301

IUPAC2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCON(CC(C)C)C(=O)C(O)c1nc(C(Cl)(Cl)Cl)ns1
InChIInChI=1S/C10H14Cl3N3O3S/c1-5(2)4-16(19-3)8(18)6(17)7-14-9(15-20-7)10(11,12)13/h5-6,17H,4H2,1-3H3
InChIKeySXEIXWMKQMLXTG-UHFFFAOYSA-N
MW362.67 g/mol
LogP2.44
Rot. Bonds5

About 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide

2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 88672301) has the molecular formula C10H14Cl3N3O3S and a molecular weight of 362.67 g/mol. Its IUPAC name is 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID88672301
Molecular FormulaC10H14Cl3N3O3S
Molecular Weight362.67 g/mol
Exact Mass360.98
IUPAC Name2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCON(CC(C)C)C(=O)C(O)c1nc(C(Cl)(Cl)Cl)ns1
InChIInChI=1S/C10H14Cl3N3O3S/c1-5(2)4-16(19-3)8(18)6(17)7-14-9(15-20-7)10(11,12)13/h5-6,17H,4H2,1-3H3
InChIKeySXEIXWMKQMLXTG-UHFFFAOYSA-N
XLogP2.44
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.67
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 88672301) is 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide is CON(CC(C)C)C(=O)C(O)c1nc(C(Cl)(Cl)Cl)ns1.
What is the InChIKey of 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is SXEIXWMKQMLXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl3N3O3S/c1-5(2)4-16(19-3)8(18)6(17)7-14-9(15-20-7)10(11,12)13/h5-6,17H,4H2,1-3H3.
What are the key properties of 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide?
2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 362.67 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 88672301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).