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

C19H19N3OS — CID 71459214

IUPAC4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
SMILESC/C(COc1ccccc1)=N\Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C19H19N3OS/c1-14-8-10-16(11-9-14)18-13-24-19(20-18)22-21-15(2)12-23-17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,20,22)/b21-15+
InChIKeyXHUJUWXPOQTGFO-RCCKNPSSSA-N
MW337.45 g/mol
LogP4.99
Rot. Bonds6

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

4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine (PubChem CID 71459214) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
PubChem CID71459214
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine
SMILESC/C(COc1ccccc1)=N\Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C19H19N3OS/c1-14-8-10-16(11-9-14)18-13-24-19(20-18)22-21-15(2)12-23-17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,20,22)/b21-15+
InChIKeyXHUJUWXPOQTGFO-RCCKNPSSSA-N
XLogP4.99
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.99
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 4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine (CID 71459214) is 4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine is C/C(COc1ccccc1)=N\Nc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of 4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine?
The InChIKey is XHUJUWXPOQTGFO-RCCKNPSSSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-8-10-16(11-9-14)18-13-24-19(20-18)22-21-15(2)12-23-17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3,(H,20,22)/b21-15+.
What are the key properties of 4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine?
4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine has a molecular weight of 337.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[(E)-1-phenoxypropan-2-ylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71459214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).