(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide

C23H15FN4S — CID 6391708

IUPAC(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C23H15FN4S/c24-19-10-12-20(13-11-19)27-28-21(14-25)23-26-22(15-29-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,15,27H/b28-21+
InChIKeyCKDDFIAIMIARSL-SGWCAAJKSA-N
MW398.47 g/mol
LogP5.96
Rot. Bonds5

About (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide

(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide (PubChem CID 6391708) has the molecular formula C23H15FN4S and a molecular weight of 398.47 g/mol. Its IUPAC name is (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound Name(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
PubChem CID6391708
Molecular FormulaC23H15FN4S
Molecular Weight398.47 g/mol
Exact Mass398.10
IUPAC Name(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C23H15FN4S/c24-19-10-12-20(13-11-19)27-28-21(14-25)23-26-22(15-29-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,15,27H/b28-21+
InChIKeyCKDDFIAIMIARSL-SGWCAAJKSA-N
XLogP5.96
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.96
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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Related Compounds

N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 5200858
N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3528200
(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6257271
(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 6534550
N-(2,3-dimethylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 3638579
N-(4-ethylanilino)-4-(4-methoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3730657
N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3818504
(2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 25214941
N-(4-methylanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3700768
N-(4-bromoanilino)-4-(3-methoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3634746
4-(4-chlorophenyl)-N-(2,4-dichloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 2753911
N-(4-chloroanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3753846

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide?
The IUPAC name of (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide (CID 6391708) is (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide.
What is the SMILES notation for (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide?
The canonical SMILES for (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide is N#C/C(=N\Nc1ccc(F)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide?
The InChIKey is CKDDFIAIMIARSL-SGWCAAJKSA-N. The full InChI is InChI=1S/C23H15FN4S/c24-19-10-12-20(13-11-19)27-28-21(14-25)23-26-22(15-29-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,15,27H/b28-21+.
What are the key properties of (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide?
(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide has a molecular weight of 398.47 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 6391708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).