4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine

C17H16N4OS — CID 90481669

IUPAC4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(\C)c3ccccn3)n2)cc1
InChIInChI=1S/C17H16N4OS/c1-12(15-5-3-4-10-18-15)20-21-17-19-16(11-23-17)13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+
InChIKeyVQEWDVVMGSEDMV-UDWIEESQSA-N
MW324.41 g/mol
LogP4.05
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 90481669) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID90481669
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(\C)c3ccccn3)n2)cc1
InChIInChI=1S/C17H16N4OS/c1-12(15-5-3-4-10-18-15)20-21-17-19-16(11-23-17)13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+
InChIKeyVQEWDVVMGSEDMV-UDWIEESQSA-N
XLogP4.05
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 90481669) is 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C(\C)c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is VQEWDVVMGSEDMV-UDWIEESQSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-12(15-5-3-4-10-18-15)20-21-17-19-16(11-23-17)13-6-8-14(22-2)9-7-13/h3-11H,1-2H3,(H,19,21)/b20-12+.
What are the key properties of 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 324.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 90481669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).