4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine

C19H19N3O2S — CID 71462721

IUPAC4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(\C)COc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14(12-24-17-6-4-3-5-7-17)21-22-19-20-18(13-25-19)15-8-10-16(23-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,20,22)/b21-14+
InChIKeyZBMRRLGIWMHSAE-KGENOOAVSA-N
MW353.45 g/mol
LogP4.69
Rot. Bonds7

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

4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine (PubChem CID 71462721) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
PubChem CID71462721
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(\C)COc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14(12-24-17-6-4-3-5-7-17)21-22-19-20-18(13-25-19)15-8-10-16(23-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,20,22)/b21-14+
InChIKeyZBMRRLGIWMHSAE-KGENOOAVSA-N
XLogP4.69
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.69
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-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine (CID 71462721) is 4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C(\C)COc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ZBMRRLGIWMHSAE-KGENOOAVSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14(12-24-17-6-4-3-5-7-17)21-22-19-20-18(13-25-19)15-8-10-16(23-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,20,22)/b21-14+.
What are the key properties of 4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine has a molecular weight of 353.45 g/mol, XLogP of 4.69, 7 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-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71462721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).