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

C17H10ClFN4S — CID 6257271

IUPAC(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N\Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H10ClFN4S/c18-12-7-5-11(6-8-12)16-10-24-17(21-16)15(9-20)23-22-14-4-2-1-3-13(14)19/h1-8,10,22H/b23-15+
InChIKeyZZNNPTCDPKJHDF-HZHRSRAPSA-N
MW356.81 g/mol
LogP4.94
Rot. Bonds4

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

(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide (PubChem CID 6257271) has the molecular formula C17H10ClFN4S and a molecular weight of 356.81 g/mol. Its IUPAC name is (2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound Name(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide
PubChem CID6257271
Molecular FormulaC17H10ClFN4S
Molecular Weight356.81 g/mol
Exact Mass356.03
IUPAC Name(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N\Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H10ClFN4S/c18-12-7-5-11(6-8-12)16-10-24-17(21-16)15(9-20)23-22-14-4-2-1-3-13(14)19/h1-8,10,22H/b23-15+
InChIKeyZZNNPTCDPKJHDF-HZHRSRAPSA-N
XLogP4.94
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.94
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

4-(4-chlorophenyl)-N-(2,4-dichloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 2753911
(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 6534550
N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
CID 4737678
N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3528200
(2Z)-4-(4-chlorophenyl)-N-(2,4,6-trimethylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6527042
(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6391708
N-(2,3-dimethylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 3638579
N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 5200858
N-(4-chloroanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3753846
(2E)-N-[2-chloro-5-(trifluoromethyl)anilino]-4-(4-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 16815423
(2E)-N-[2-chloro-5-(trifluoromethyl)anilino]-4-(4-ethoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 18558466
(2E)-N-(2,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6259590

Frequently Asked Questions

What is the IUPAC name of (2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide?
The IUPAC name of (2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide (CID 6257271) is (2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide.
What is the SMILES notation for (2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide?
The canonical SMILES for (2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide is N#C/C(=N\Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of (2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide?
The InChIKey is ZZNNPTCDPKJHDF-HZHRSRAPSA-N. The full InChI is InChI=1S/C17H10ClFN4S/c18-12-7-5-11(6-8-12)16-10-24-17(21-16)15(9-20)23-22-14-4-2-1-3-13(14)19/h1-8,10,22H/b23-15+.
What are the key properties of (2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide?
(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide has a molecular weight of 356.81 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 6257271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).