1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine

C15H17FN2S2 — CID 144837913

IUPAC1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1c(F)ccc(C2CC2)c1SCc1cccs1
InChIInChI=1S/C15H17FN2S2/c1-18(17)14-13(16)7-6-12(10-4-5-10)15(14)20-9-11-3-2-8-19-11/h2-3,6-8,10H,4-5,9,17H2,1H3
InChIKeyDIKIDTMVXIGUOO-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.37
Rot. Bonds5

About 1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine

1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine (PubChem CID 144837913) has the molecular formula C15H17FN2S2 and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine
PubChem CID144837913
Molecular FormulaC15H17FN2S2
Molecular Weight308.45 g/mol
Exact Mass308.08
IUPAC Name1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1c(F)ccc(C2CC2)c1SCc1cccs1
InChIInChI=1S/C15H17FN2S2/c1-18(17)14-13(16)7-6-12(10-4-5-10)15(14)20-9-11-3-2-8-19-11/h2-3,6-8,10H,4-5,9,17H2,1H3
InChIKeyDIKIDTMVXIGUOO-UHFFFAOYSA-N
XLogP4.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine (CID 144837913) is 1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine is CN(N)c1c(F)ccc(C2CC2)c1SCc1cccs1.
What is the InChIKey of 1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine?
The InChIKey is DIKIDTMVXIGUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S2/c1-18(17)14-13(16)7-6-12(10-4-5-10)15(14)20-9-11-3-2-8-19-11/h2-3,6-8,10H,4-5,9,17H2,1H3.
What are the key properties of 1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine?
1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine has a molecular weight of 308.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-6-fluoro-2-(thiophen-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine is sourced from PubChem (CID 144837913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).