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

C11H7FN4OS — CID 4737678

IUPACN-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#CC(=NNc1ccccc1F)c1nc(O)cs1
InChIInChI=1S/C11H7FN4OS/c12-7-3-1-2-4-8(7)15-16-9(5-13)11-14-10(17)6-18-11/h1-4,6,15,17H
InChIKeyKBLFXFUGXFGYJQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.33
Rot. Bonds3

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

N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide (PubChem CID 4737678) has the molecular formula C11H7FN4OS and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound NameN-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
PubChem CID4737678
Molecular FormulaC11H7FN4OS
Molecular Weight262.27 g/mol
Exact Mass262.03
IUPAC NameN-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#CC(=NNc1ccccc1F)c1nc(O)cs1
InChIInChI=1S/C11H7FN4OS/c12-7-3-1-2-4-8(7)15-16-9(5-13)11-14-10(17)6-18-11/h1-4,6,15,17H
InChIKeyKBLFXFUGXFGYJQ-UHFFFAOYSA-N
XLogP2.33
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6257271
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
(2E)-N-(2-fluoroanilino)-1H-benzimidazole-2-carboximidoyl cyanide
CID 135851014
N-(2,3-dimethylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 3638579
(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 6534550
(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6391708
4-(4-chlorophenyl)-N-(2,4-dichloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 2753911
N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 5200858
2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
CID 169337850
(2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
CID 135868193
N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3528200
N-(2,4-dimethylanilino)-4-(2,4-dimethylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3304755

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide?
The IUPAC name of N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide (CID 4737678) is N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide.
What is the SMILES notation for N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide?
The canonical SMILES for N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide is N#CC(=NNc1ccccc1F)c1nc(O)cs1.
What is the InChIKey of N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide?
The InChIKey is KBLFXFUGXFGYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4OS/c12-7-3-1-2-4-8(7)15-16-9(5-13)11-14-10(17)6-18-11/h1-4,6,15,17H.
What are the key properties of N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide?
N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide has a molecular weight of 262.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 4737678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).