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

C22H16N4OS — CID 3711053

IUPACN-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
SMILESCOc1ccc(NN=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C22H16N4OS/c1-27-17-11-9-16(10-12-17)25-26-20(13-23)22-24-21(14-28-22)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,14,25H,1H3
InChIKeyCHOSCUCUYNRMOT-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.31
Rot. Bonds5

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

N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide (PubChem CID 3711053) has the molecular formula C22H16N4OS and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound NameN-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
PubChem CID3711053
Molecular FormulaC22H16N4OS
Molecular Weight384.46 g/mol
Exact Mass384.10
IUPAC NameN-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
SMILESCOc1ccc(NN=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1
InChIInChI=1S/C22H16N4OS/c1-27-17-11-9-16(10-12-17)25-26-20(13-23)22-24-21(14-28-22)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,14,25H,1H3
InChIKeyCHOSCUCUYNRMOT-UHFFFAOYSA-N
XLogP5.31
TPSA70.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
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

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
N-(4-bromoanilino)-4-(3-methoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3634746
N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 5200858
N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3528200
(2E)-4-(3,4-dimethylphenyl)-N-(4-ethoxyanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6276790
(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6391708
N-(4-ethoxyanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3758307
N-(4-methylanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3700768
4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(4-chloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 87443078
N-(2,3-dimethylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 3638579
N-(5-chloro-2-methoxyanilino)-4-(2,4-dimethylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 4068304

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide?
The IUPAC name of N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide (CID 3711053) is N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide.
What is the SMILES notation for N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide?
The canonical SMILES for N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide is COc1ccc(NN=C(C#N)c2nc(-c3cccc4ccccc34)cs2)cc1.
What is the InChIKey of N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide?
The InChIKey is CHOSCUCUYNRMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS/c1-27-17-11-9-16(10-12-17)25-26-20(13-23)22-24-21(14-28-22)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,14,25H,1H3.
What are the key properties of N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide?
N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide has a molecular weight of 384.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 3711053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).