N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide

C20H16N4OS — CID 8871536

IUPACN-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)N/N=C\c3ccc(C#N)cc3)cs2)cc1
InChIInChI=1S/C20H16N4OS/c1-2-14-7-9-17(10-8-14)20-23-18(13-26-20)19(25)24-22-12-16-5-3-15(11-21)4-6-16/h3-10,12-13H,2H2,1H3,(H,24,25)/b22-12-
InChIKeyBPVCRDGNTNZVIZ-UUYOSTAYSA-N
MW360.44 g/mol
LogP4.01
Rot. Bonds5

About N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide

N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 8871536) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID8871536
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)N/N=C\c3ccc(C#N)cc3)cs2)cc1
InChIInChI=1S/C20H16N4OS/c1-2-14-7-9-17(10-8-14)20-23-18(13-26-20)19(25)24-22-12-16-5-3-15(11-21)4-6-16/h3-10,12-13H,2H2,1H3,(H,24,25)/b22-12-
InChIKeyBPVCRDGNTNZVIZ-UUYOSTAYSA-N
XLogP4.01
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (CID 8871536) is N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is CCc1ccc(-c2nc(C(=O)N/N=C\c3ccc(C#N)cc3)cs2)cc1.
What is the InChIKey of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BPVCRDGNTNZVIZ-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-2-14-7-9-17(10-8-14)20-23-18(13-26-20)19(25)24-22-12-16-5-3-15(11-21)4-6-16/h3-10,12-13H,2H2,1H3,(H,24,25)/b22-12-.
What are the key properties of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 8871536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).