2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile

C17H11N7S — CID 169339579

IUPAC2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C17H11N7S/c18-9-14(10-19)24-23-13-6-4-12(5-7-13)21-17-22-16(11-25-17)15-3-1-2-8-20-15/h1-8,11,23H,(H,21,22)
InChIKeyGSXLKACUNZEFLO-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.76
Rot. Bonds5

About 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile

2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339579) has the molecular formula C17H11N7S and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339579
Molecular FormulaC17H11N7S
Molecular Weight345.39 g/mol
Exact Mass345.08
IUPAC Name2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C17H11N7S/c18-9-14(10-19)24-23-13-6-4-12(5-7-13)21-17-22-16(11-25-17)15-3-1-2-8-20-15/h1-8,11,23H,(H,21,22)
InChIKeyGSXLKACUNZEFLO-UHFFFAOYSA-N
XLogP3.76
TPSA109.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 91800824
4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 704429
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
3-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]anilino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
CID 169344494
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 122192398
1-(2-hydroxyethyl)-3-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]anilino]pyrrole-2,5-dione
CID 168559429
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzoxazol-2-amine
CID 108777909
N-(4-methylpyrimidin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71549400
2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetic acid
CID 86280870
2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340937
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] N-phenylcarbamate
CID 110492702

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile (CID 169339579) is 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is GSXLKACUNZEFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7S/c18-9-14(10-19)24-23-13-6-4-12(5-7-13)21-17-22-16(11-25-17)15-3-1-2-8-20-15/h1-8,11,23H,(H,21,22).
What are the key properties of 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile?
2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 345.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).