N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide

C18H14N4S — CID 5200858

IUPACN-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
SMILESCc1ccc(-c2csc(C(C#N)=NNc3ccccc3)n2)cc1
InChIInChI=1S/C18H14N4S/c1-13-7-9-14(10-8-13)17-12-23-18(20-17)16(11-19)22-21-15-5-3-2-4-6-15/h2-10,12,21H,1H3
InChIKeyXZPPGFYPJPYYOP-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.46
Rot. Bonds4

About N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide

N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide (PubChem CID 5200858) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound NameN-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
PubChem CID5200858
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC NameN-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
SMILESCc1ccc(-c2csc(C(C#N)=NNc3ccccc3)n2)cc1
InChIInChI=1S/C18H14N4S/c1-13-7-9-14(10-8-13)17-12-23-18(20-17)16(11-19)22-21-15-5-3-2-4-6-15/h2-10,12,21H,1H3
InChIKeyXZPPGFYPJPYYOP-UHFFFAOYSA-N
XLogP4.46
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.46
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

(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6391708
3-[2-[cyano-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]hydrazinyl]-N-hydroxybenzeneamine oxide
CID 163170507
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
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
N-(2,3-dimethylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 3638579
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
N-(4-ethylanilino)-4-(4-methoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3730657
(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 6534550
(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 N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide?
The IUPAC name of N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide (CID 5200858) is N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide.
What is the SMILES notation for N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide?
The canonical SMILES for N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide is Cc1ccc(-c2csc(C(C#N)=NNc3ccccc3)n2)cc1.
What is the InChIKey of N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide?
The InChIKey is XZPPGFYPJPYYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-13-7-9-14(10-8-13)17-12-23-18(20-17)16(11-19)22-21-15-5-3-2-4-6-15/h2-10,12,21H,1H3.
What are the key properties of N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide?
N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide has a molecular weight of 318.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 5200858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).