(2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide

C20H19N5O2S2 — CID 25214941

IUPAC(2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide
SMILESCc1ccc(N/N=C(/C#N)c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1
InChIInChI=1S/C20H19N5O2S2/c1-14-4-8-16(9-5-14)23-24-18(12-21)20-22-19(13-28-20)15-6-10-17(11-7-15)29(26,27)25(2)3/h4-11,13,23H,1-3H3/b24-18-
InChIKeyZNSBHAWQYDGWBS-MOHJPFBDSA-N
MW425.54 g/mol
LogP3.71
Rot. Bonds6

About (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide

(2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide (PubChem CID 25214941) has the molecular formula C20H19N5O2S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound Name(2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide
PubChem CID25214941
Molecular FormulaC20H19N5O2S2
Molecular Weight425.54 g/mol
Exact Mass425.10
IUPAC Name(2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide
SMILESCc1ccc(N/N=C(/C#N)c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1
InChIInChI=1S/C20H19N5O2S2/c1-14-4-8-16(9-5-14)23-24-18(12-21)20-22-19(13-28-20)15-6-10-17(11-7-15)29(26,27)25(2)3/h4-11,13,23H,1-3H3/b24-18-
InChIKeyZNSBHAWQYDGWBS-MOHJPFBDSA-N
XLogP3.71
TPSA98.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
4-(1,3-benzodioxol-5-yl)-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 4202045
N-(4-methylanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3700768
3-[2-[cyano-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]hydrazinyl]-N-hydroxybenzeneamine oxide
CID 163170507
(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6391708
N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3818504
N-(4-ethylanilino)-4-(4-methoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3730657
(2Z)-4-(4-chlorophenyl)-N-(2,4,6-trimethylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6527042
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
4-[2-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 25216138
(2E)-4-(3,4-dimethylphenyl)-N-(4-ethoxyanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6276790
(2Z)-4-(3,4-dimethylphenyl)-N-(2,4,6-trimethylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6514248

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide?
The IUPAC name of (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide (CID 25214941) is (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide.
What is the SMILES notation for (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide?
The canonical SMILES for (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide is Cc1ccc(N/N=C(/C#N)c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)cs2)cc1.
What is the InChIKey of (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide?
The InChIKey is ZNSBHAWQYDGWBS-MOHJPFBDSA-N. The full InChI is InChI=1S/C20H19N5O2S2/c1-14-4-8-16(9-5-14)23-24-18(12-21)20-22-19(13-28-20)15-6-10-17(11-7-15)29(26,27)25(2)3/h4-11,13,23H,1-3H3/b24-18-.
What are the key properties of (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide?
(2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide has a molecular weight of 425.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 25214941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).