2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide

C7H8F3N3O2S — CID 155378136

IUPAC2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide
SMILESCOCc1cnc(N(N)C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3O2S/c1-15-3-4-2-12-6(16-4)13(11)5(14)7(8,9)10/h2H,3,11H2,1H3
InChIKeyMKBMXFGTJOFMDY-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.06
Rot. Bonds3

About 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide

2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide (PubChem CID 155378136) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide
PubChem CID155378136
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Name2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide
SMILESCOCc1cnc(N(N)C(=O)C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3O2S/c1-15-3-4-2-12-6(16-4)13(11)5(14)7(8,9)10/h2H,3,11H2,1H3
InChIKeyMKBMXFGTJOFMDY-UHFFFAOYSA-N
XLogP1.06
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide (CID 155378136) is 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide is COCc1cnc(N(N)C(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide?
The InChIKey is MKBMXFGTJOFMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c1-15-3-4-2-12-6(16-4)13(11)5(14)7(8,9)10/h2H,3,11H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide?
2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide has a molecular weight of 255.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetohydrazide is sourced from PubChem (CID 155378136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).