(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile

C20H19N5OS — CID 170148040

About (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile

(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile (PubChem CID 170148040) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile.

Molecular Properties

• Compound Name: (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
• PubChem CID: 170148040
• Molecular Formula: C20H19N5OS
• Molecular Weight: 377.47 g/mol
• Exact Mass: 377.13
• IUPAC Name: (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile
• SMILES: Cc1nc(-c2ccccc2)sc1COc1cccc(/C(N)=C(\C#N)NN)c1
• InChI: InChI=1S/C20H19N5OS/c1-13-18(27-20(24-13)14-6-3-2-4-7-14)12-26-16-9-5-8-15(10-16)19(22)17(11-21)25-23/h2-10,25H,12,22-23H2,1H3/b19-17-
• InChIKey: CUSXWZXKEUPVST-ZPHPHTNESA-N
• XLogP: 3.31
• TPSA: 109.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.47
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile?

The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile (CID 170148040) is (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile.

What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile?

The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile is Cc1nc(-c2ccccc2)sc1COc1cccc(/C(N)=C(\C#N)NN)c1.

What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile?

The InChIKey is CUSXWZXKEUPVST-ZPHPHTNESA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13-18(27-20(24-13)14-6-3-2-4-7-14)12-26-16-9-5-8-15(10-16)19(22)17(11-21)25-23/h2-10,25H,12,22-23H2,1H3/b19-17-.

What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile?

(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile has a molecular weight of 377.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-amino-2-hydrazinyl-3-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]phenyl]prop-2-enenitrile is sourced from PubChem (CID 170148040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).