(2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide

C17H10Cl2N6OS — CID 135868193

IUPAC(2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N/Nc1ccccc1Cl)c1nc(O)c(/N=N/c2ccccc2Cl)s1
InChIInChI=1S/C17H10Cl2N6OS/c18-10-5-1-3-7-12(10)22-24-14(9-20)16-21-15(26)17(27-16)25-23-13-8-4-2-6-11(13)19/h1-8,22,26H/b24-14-,25-23+
InChIKeyJVIGBCYUZRRTCO-MRLSLNGVSA-N
MW417.28 g/mol
LogP5.91
Rot. Bonds5

About (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide

(2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide (PubChem CID 135868193) has the molecular formula C17H10Cl2N6OS and a molecular weight of 417.28 g/mol. Its IUPAC name is (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound Name(2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
PubChem CID135868193
Molecular FormulaC17H10Cl2N6OS
Molecular Weight417.28 g/mol
Exact Mass416.00
IUPAC Name(2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N/Nc1ccccc1Cl)c1nc(O)c(/N=N/c2ccccc2Cl)s1
InChIInChI=1S/C17H10Cl2N6OS/c18-10-5-1-3-7-12(10)22-24-14(9-20)16-21-15(26)17(27-16)25-23-13-8-4-2-6-11(13)19/h1-8,22,26H/b24-14-,25-23+
InChIKeyJVIGBCYUZRRTCO-MRLSLNGVSA-N
XLogP5.91
TPSA106.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.28
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazol-2-yl]-2-[(2-chlorophenyl)hydrazinylidene]acetamide
CID 135698753
(2E)-N-(4-chloroanilino)-4-methyl-5-phenyldiazenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 135482844
N-(2-chloroanilino)-1H-benzimidazole-2-carboximidoyl cyanide
CID 3576719
N-(2-fluoroanilino)-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide
CID 4737678
(2Z)-N-(4-hydroxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 136676135
(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 6534550
(2E)-N-(2-methoxyanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 6109208
(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6257271
4-[2-[1,3-benzothiazol-2-yl(cyano)methylidene]hydrazinyl]benzenesulfonic acid
CID 2753523
N-(3-chloroanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
CID 5063724
2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745
4-(4-chlorophenyl)-N-(2,4-dichloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 2753911

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide?
The IUPAC name of (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide (CID 135868193) is (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide.
What is the SMILES notation for (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide?
The canonical SMILES for (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide is N#C/C(=N/Nc1ccccc1Cl)c1nc(O)c(/N=N/c2ccccc2Cl)s1.
What is the InChIKey of (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide?
The InChIKey is JVIGBCYUZRRTCO-MRLSLNGVSA-N. The full InChI is InChI=1S/C17H10Cl2N6OS/c18-10-5-1-3-7-12(10)22-24-14(9-20)16-21-15(26)17(27-16)25-23-13-8-4-2-6-11(13)19/h1-8,22,26H/b24-14-,25-23+.
What are the key properties of (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide?
(2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide has a molecular weight of 417.28 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-chloroanilino)-5-[(2-chlorophenyl)diazenyl]-4-hydroxy-1,3-thiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 135868193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).