[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine

C6H9F3N4OS — CID 80614521

IUPAC[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCC(OCc1nnc(NN)s1)C(F)(F)F
InChIInChI=1S/C6H9F3N4OS/c1-3(6(7,8)9)14-2-4-12-13-5(11-10)15-4/h3H,2,10H2,1H3,(H,11,13)
InChIKeyDQGHVMZFOHLDQW-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.29
Rot. Bonds4

About [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine

[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80614521) has the molecular formula C6H9F3N4OS and a molecular weight of 242.23 g/mol. Its IUPAC name is [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80614521
Molecular FormulaC6H9F3N4OS
Molecular Weight242.23 g/mol
Exact Mass242.04
IUPAC Name[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCC(OCc1nnc(NN)s1)C(F)(F)F
InChIInChI=1S/C6H9F3N4OS/c1-3(6(7,8)9)14-2-4-12-13-5(11-10)15-4/h3H,2,10H2,1H3,(H,11,13)
InChIKeyDQGHVMZFOHLDQW-UHFFFAOYSA-N
XLogP1.29
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613604
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81073772
[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614512
5-(propan-2-yloxymethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607854
[5-[(4-propoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613610
N-ethyl-5-(pentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 102985140
N-methyl-5-(2-propan-2-yloxyethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608408
(5-butan-2-yl-1,3,4-thiadiazol-2-yl)hydrazine
CID 45076311
[5-[(2-tert-butyl-4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80601996
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 80613771
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 80613272

Frequently Asked Questions

What is the IUPAC name of [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 80614521) is [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is CC(OCc1nnc(NN)s1)C(F)(F)F.
What is the InChIKey of [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is DQGHVMZFOHLDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4OS/c1-3(6(7,8)9)14-2-4-12-13-5(11-10)15-4/h3H,2,10H2,1H3,(H,11,13).
What are the key properties of [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 242.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80614521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).