3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide

C15H18FN3OS — CID 63640214

IUPAC3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide
SMILESCC(c1ccccc1F)N(C)Cc1ccsc1C(=O)NN
InChIInChI=1S/C15H18FN3OS/c1-10(12-5-3-4-6-13(12)16)19(2)9-11-7-8-21-14(11)15(20)18-17/h3-8,10H,9,17H2,1-2H3,(H,18,20)
InChIKeyMPSONGQJEFGPHY-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.68
Rot. Bonds5

About 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide

3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide (PubChem CID 63640214) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide
PubChem CID63640214
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide
SMILESCC(c1ccccc1F)N(C)Cc1ccsc1C(=O)NN
InChIInChI=1S/C15H18FN3OS/c1-10(12-5-3-4-6-13(12)16)19(2)9-11-7-8-21-14(11)15(20)18-17/h3-8,10H,9,17H2,1-2H3,(H,18,20)
InChIKeyMPSONGQJEFGPHY-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide (CID 63640214) is 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide is CC(c1ccccc1F)N(C)Cc1ccsc1C(=O)NN.
What is the InChIKey of 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide?
The InChIKey is MPSONGQJEFGPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-10(12-5-3-4-6-13(12)16)19(2)9-11-7-8-21-14(11)15(20)18-17/h3-8,10H,9,17H2,1-2H3,(H,18,20).
What are the key properties of 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide?
3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide has a molecular weight of 307.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63640214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).