N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide

C23H20FN5O3S — CID 11820761

IUPACN-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
SMILESCCOc1ccc(-n2c(-c3ccc(F)cc3)cs/c2=N\NC(=O)COc2cnccn2)cc1
InChIInChI=1S/C23H20FN5O3S/c1-2-31-19-9-7-18(8-10-19)29-20(16-3-5-17(24)6-4-16)15-33-23(29)28-27-21(30)14-32-22-13-25-11-12-26-22/h3-13,15H,2,14H2,1H3,(H,27,30)/b28-23-
InChIKeySWYGUMRSYBPNRS-NFFVHWSESA-N
MW465.51 g/mol
LogP3.54
Rot. Bonds8

About N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide

N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide (PubChem CID 11820761) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
PubChem CID11820761
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC NameN-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
SMILESCCOc1ccc(-n2c(-c3ccc(F)cc3)cs/c2=N\NC(=O)COc2cnccn2)cc1
InChIInChI=1S/C23H20FN5O3S/c1-2-31-19-9-7-18(8-10-19)29-20(16-3-5-17(24)6-4-16)15-33-23(29)28-27-21(30)14-32-22-13-25-11-12-26-22/h3-13,15H,2,14H2,1H3,(H,27,30)/b28-23-
InChIKeySWYGUMRSYBPNRS-NFFVHWSESA-N
XLogP3.54
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', '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)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide?
The IUPAC name of N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide (CID 11820761) is N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide.
What is the SMILES notation for N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide?
The canonical SMILES for N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide is CCOc1ccc(-n2c(-c3ccc(F)cc3)cs/c2=N\NC(=O)COc2cnccn2)cc1.
What is the InChIKey of N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide?
The InChIKey is SWYGUMRSYBPNRS-NFFVHWSESA-N. The full InChI is InChI=1S/C23H20FN5O3S/c1-2-31-19-9-7-18(8-10-19)29-20(16-3-5-17(24)6-4-16)15-33-23(29)28-27-21(30)14-32-22-13-25-11-12-26-22/h3-13,15H,2,14H2,1H3,(H,27,30)/b28-23-.
What are the key properties of N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide?
N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide has a molecular weight of 465.51 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide is sourced from PubChem (CID 11820761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).