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

C16H13N3S — CID 5331297

IUPACN-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESC(=N/Nc1nc(-c2ccccc2)cs1)\c1ccccc1
InChIInChI=1S/C16H13N3S/c1-3-7-13(8-4-1)11-17-19-16-18-15(12-20-16)14-9-5-2-6-10-14/h1-12H,(H,18,19)/b17-11+
InChIKeyDWKMMHAIALSICX-GZTJUZNOSA-N
MW279.37 g/mol
LogP4.26
Rot. Bonds4

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

N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 5331297) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID5331297
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC NameN-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESC(=N/Nc1nc(-c2ccccc2)cs1)\c1ccccc1
InChIInChI=1S/C16H13N3S/c1-3-7-13(8-4-1)11-17-19-16-18-15(12-20-16)14-9-5-2-6-10-14/h1-12H,(H,18,19)/b17-11+
InChIKeyDWKMMHAIALSICX-GZTJUZNOSA-N
XLogP4.26
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
4-(4-Cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
CID 44442376
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
2-Hydrazinyl-4-phenylthiazole
CID 98613
4-(4-Fluorophenyl)-1,3-thiazol-2-amine
CID 722371
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 5331297) is N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine is C(=N/Nc1nc(-c2ccccc2)cs1)\c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is DWKMMHAIALSICX-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13N3S/c1-3-7-13(8-4-1)11-17-19-16-18-15(12-20-16)14-9-5-2-6-10-14/h1-12H,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 279.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 5331297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).