N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide

C22H16N4S — CID 3818504

IUPACN-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
SMILESCc1ccc(NN=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C22H16N4S/c1-15-9-11-17(12-10-15)25-26-20(13-23)22-24-21(14-27-22)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14,25H,1H3
InChIKeyUZEVHBDXFBLUFO-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.61
Rot. Bonds4

About N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide

N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide (PubChem CID 3818504) has the molecular formula C22H16N4S and a molecular weight of 368.47 g/mol. Its IUPAC name is N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound NameN-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
PubChem CID3818504
Molecular FormulaC22H16N4S
Molecular Weight368.47 g/mol
Exact Mass368.11
IUPAC NameN-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
SMILESCc1ccc(NN=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C22H16N4S/c1-15-9-11-17(12-10-15)25-26-20(13-23)22-24-21(14-27-22)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14,25H,1H3
InChIKeyUZEVHBDXFBLUFO-UHFFFAOYSA-N
XLogP5.61
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.61
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

N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3711053
N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 5200858
N-(4-methylanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3700768
(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6391708
N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3528200
4-(1,3-benzodioxol-5-yl)-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 4202045
(2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 25214941
3-[2-[cyano-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]hydrazinyl]-N-hydroxybenzeneamine oxide
CID 163170507
N-(2,4-dimethylanilino)-4-(2,4-dimethylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3304755
N-(4-ethylanilino)-4-(4-methoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3730657
4-methyl-N-(4-pyrimidin-2-ylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 150721183
(2E)-4-(3,4-dimethylphenyl)-N-(4-ethoxyanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6276790

Frequently Asked Questions

What is the IUPAC name of N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide?
The IUPAC name of N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide (CID 3818504) is N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide.
What is the SMILES notation for N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide?
The canonical SMILES for N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide is Cc1ccc(NN=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1.
What is the InChIKey of N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide?
The InChIKey is UZEVHBDXFBLUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4S/c1-15-9-11-17(12-10-15)25-26-20(13-23)22-24-21(14-27-22)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14,25H,1H3.
What are the key properties of N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide?
N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide has a molecular weight of 368.47 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 3818504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).