4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide

C19H25N5OS — CID 142060763

IUPAC4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide
SMILESNN/N=C(\N)CCCOc1cccc(/C=C/c2nc(C3CCC3)cs2)c1
InChIInChI=1S/C19H25N5OS/c20-18(23-24-21)8-3-11-25-16-7-1-4-14(12-16)9-10-19-22-17(13-26-19)15-5-2-6-15/h1,4,7,9-10,12-13,15,24H,2-3,5-6,8,11,21H2,(H2,20,23)/b10-9+
InChIKeySZBAMOJHSQETBX-MDZDMXLPSA-N
MW371.51 g/mol
LogP3.48
Rot. Bonds9

About 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide

4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide (PubChem CID 142060763) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide.

Molecular Properties

Compound Name4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide
PubChem CID142060763
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide
SMILESNN/N=C(\N)CCCOc1cccc(/C=C/c2nc(C3CCC3)cs2)c1
InChIInChI=1S/C19H25N5OS/c20-18(23-24-21)8-3-11-25-16-7-1-4-14(12-16)9-10-19-22-17(13-26-19)15-5-2-6-15/h1,4,7,9-10,12-13,15,24H,2-3,5-6,8,11,21H2,(H2,20,23)/b10-9+
InChIKeySZBAMOJHSQETBX-MDZDMXLPSA-N
XLogP3.48
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide?
The IUPAC name of 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide (CID 142060763) is 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide.
What is the SMILES notation for 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide?
The canonical SMILES for 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide is NN/N=C(\N)CCCOc1cccc(/C=C/c2nc(C3CCC3)cs2)c1.
What is the InChIKey of 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide?
The InChIKey is SZBAMOJHSQETBX-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H25N5OS/c20-18(23-24-21)8-3-11-25-16-7-1-4-14(12-16)9-10-19-22-17(13-26-19)15-5-2-6-15/h1,4,7,9-10,12-13,15,24H,2-3,5-6,8,11,21H2,(H2,20,23)/b10-9+.
What are the key properties of 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide?
4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide has a molecular weight of 371.51 g/mol, XLogP of 3.48, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]phenoxy]-N'-hydrazinylbutanimidamide is sourced from PubChem (CID 142060763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).