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

C18H17N3OS — CID 71460993

IUPACN-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESC/C(COc1ccccc1)=N\Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H17N3OS/c1-14(12-22-16-10-6-3-7-11-16)20-21-18-19-17(13-23-18)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H,19,21)/b20-14+
InChIKeyRRODTNZTFJNDOG-XSFVSMFZSA-N
MW323.42 g/mol
LogP4.68
Rot. Bonds6

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

N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 71460993) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID71460993
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESC/C(COc1ccccc1)=N\Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H17N3OS/c1-14(12-22-16-10-6-3-7-11-16)20-21-18-19-17(13-23-18)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H,19,21)/b20-14+
InChIKeyRRODTNZTFJNDOG-XSFVSMFZSA-N
XLogP4.68
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.68
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 N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 71460993) is N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine is C/C(COc1ccccc1)=N\Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is RRODTNZTFJNDOG-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-14(12-22-16-10-6-3-7-11-16)20-21-18-19-17(13-23-18)15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H,19,21)/b20-14+.
What are the key properties of N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 323.42 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenoxypropan-2-ylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 71460993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).