4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

C18H14N4S — CID 71540248

IUPAC4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESC/C(=N\Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1
InChIInChI=1S/C18H14N4S/c1-13(15-5-3-2-4-6-15)21-22-18-20-17(12-23-18)16-9-7-14(11-19)8-10-16/h2-10,12H,1H3,(H,20,22)/b21-13+
InChIKeyFTIQJYPMEOMUDM-FYJGNVAPSA-N
MW318.41 g/mol
LogP4.52
Rot. Bonds4

About 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 71540248) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID71540248
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESC/C(=N\Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1
InChIInChI=1S/C18H14N4S/c1-13(15-5-3-2-4-6-15)21-22-18-20-17(12-23-18)16-9-7-14(11-19)8-10-16/h2-10,12H,1H3,(H,20,22)/b21-13+
InChIKeyFTIQJYPMEOMUDM-FYJGNVAPSA-N
XLogP4.52
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 ≤ 54.52
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

4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
N-[1-(4-aminophenyl)ethylideneamino]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 78614568
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 23102412
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650
4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
CID 51032949

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (CID 71540248) is 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is C/C(=N\Nc1nc(-c2ccc(C#N)cc2)cs1)c1ccccc1.
What is the InChIKey of 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is FTIQJYPMEOMUDM-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H14N4S/c1-13(15-5-3-2-4-6-15)21-22-18-20-17(12-23-18)16-9-7-14(11-19)8-10-16/h2-10,12H,1H3,(H,20,22)/b21-13+.
What are the key properties of 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 318.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 71540248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).