1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine

C12H12F3N3S2 — CID 144838813

IUPAC1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine
SMILESCN(N)c1cccc(C(F)(F)F)c1SCc1nccs1
InChIInChI=1S/C12H12F3N3S2/c1-18(16)9-4-2-3-8(12(13,14)15)11(9)20-7-10-17-5-6-19-10/h2-6H,7,16H2,1H3
InChIKeyIESSJLJISWJIQX-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.76
Rot. Bonds4

About 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine

1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine (PubChem CID 144838813) has the molecular formula C12H12F3N3S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine
PubChem CID144838813
Molecular FormulaC12H12F3N3S2
Molecular Weight319.38 g/mol
Exact Mass319.04
IUPAC Name1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine
SMILESCN(N)c1cccc(C(F)(F)F)c1SCc1nccs1
InChIInChI=1S/C12H12F3N3S2/c1-18(16)9-4-2-3-8(12(13,14)15)11(9)20-7-10-17-5-6-19-10/h2-6H,7,16H2,1H3
InChIKeyIESSJLJISWJIQX-UHFFFAOYSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine (CID 144838813) is 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine is CN(N)c1cccc(C(F)(F)F)c1SCc1nccs1.
What is the InChIKey of 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is IESSJLJISWJIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S2/c1-18(16)9-4-2-3-8(12(13,14)15)11(9)20-7-10-17-5-6-19-10/h2-6H,7,16H2,1H3.
What are the key properties of 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine?
1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 319.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)-3-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 144838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).