4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

C16H11N5S — CID 71456516

IUPAC4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1
InChIInChI=1S/C16H11N5S/c17-9-12-1-3-14(4-2-12)15-11-22-16(20-15)21-19-10-13-5-7-18-8-6-13/h1-8,10-11H,(H,20,21)/b19-10-
InChIKeyHCCHEOKGYJIUPO-GRSHGNNSSA-N
MW305.37 g/mol
LogP3.52
Rot. Bonds4

About 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 71456516) has the molecular formula C16H11N5S and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID71456516
Molecular FormulaC16H11N5S
Molecular Weight305.37 g/mol
Exact Mass305.07
IUPAC Name4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1
InChIInChI=1S/C16H11N5S/c17-9-12-1-3-14(4-2-12)15-11-22-16(20-15)21-19-10-13-5-7-18-8-6-13/h1-8,10-11H,(H,20,21)/b19-10-
InChIKeyHCCHEOKGYJIUPO-GRSHGNNSSA-N
XLogP3.52
TPSA73.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.52
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

4-[2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 155925476
4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 169490567
4-(3,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538194
4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540243
N-[(Z)-pyridin-4-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110539249
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
3-[[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168576975
4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538193
4-[2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 169091862

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (CID 71456516) is 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is N#Cc1ccc(-c2csc(N/N=C\c3ccncc3)n2)cc1.
What is the InChIKey of 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is HCCHEOKGYJIUPO-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H11N5S/c17-9-12-1-3-14(4-2-12)15-11-22-16(20-15)21-19-10-13-5-7-18-8-6-13/h1-8,10-11H,(H,20,21)/b19-10-.
What are the key properties of 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 305.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 71456516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).