4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine

C16H15N3OS2 — CID 51032800

IUPAC4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(/C)c3cccs3)n2)cc1
InChIInChI=1S/C16H15N3OS2/c1-11(15-4-3-9-21-15)18-19-16-17-14(10-22-16)12-5-7-13(20-2)8-6-12/h3-10H,1-2H3,(H,17,19)/b18-11-
InChIKeyKEVNGWJEEHKURK-WQRHYEAKSA-N
MW329.45 g/mol
LogP4.72
Rot. Bonds5

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

4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 51032800) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID51032800
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(/C)c3cccs3)n2)cc1
InChIInChI=1S/C16H15N3OS2/c1-11(15-4-3-9-21-15)18-19-16-17-14(10-22-16)12-5-7-13(20-2)8-6-12/h3-10H,1-2H3,(H,17,19)/b18-11-
InChIKeyKEVNGWJEEHKURK-WQRHYEAKSA-N
XLogP4.72
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.72
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-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 51032800) is 4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C(/C)c3cccs3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is KEVNGWJEEHKURK-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-11(15-4-3-9-21-15)18-19-16-17-14(10-22-16)12-5-7-13(20-2)8-6-12/h3-10H,1-2H3,(H,17,19)/b18-11-.
What are the key properties of 4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 329.45 g/mol, XLogP of 4.72, 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-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 51032800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).