2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile

C15H10N6S — CID 154945857

IUPAC2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile
SMILESN#CC(=NN)c1nc(-c2ccc(-c3ncccn3)cc2)cs1
InChIInChI=1S/C15H10N6S/c16-8-12(21-17)15-20-13(9-22-15)10-2-4-11(5-3-10)14-18-6-1-7-19-14/h1-7,9H,17H2
InChIKeyNAVDYIQVGVJSPW-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.45
Rot. Bonds3

About 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile

2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile (PubChem CID 154945857) has the molecular formula C15H10N6S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile
PubChem CID154945857
Molecular FormulaC15H10N6S
Molecular Weight306.35 g/mol
Exact Mass306.07
IUPAC Name2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile
SMILESN#CC(=NN)c1nc(-c2ccc(-c3ncccn3)cc2)cs1
InChIInChI=1S/C15H10N6S/c16-8-12(21-17)15-20-13(9-22-15)10-2-4-11(5-3-10)14-18-6-1-7-19-14/h1-7,9H,17H2
InChIKeyNAVDYIQVGVJSPW-UHFFFAOYSA-N
XLogP2.45
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

4-methyl-N-(4-pyrimidin-2-ylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 150721183
(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6391708
N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 5200858
(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6257271
4-(4-chlorophenyl)-N-(2,4-dichloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 2753911
N-(2,3-dimethylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 3638579
(2Z)-4-(4-chlorophenyl)-N-(2,4,6-trimethylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6527042
(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 6534550
(2Z)-4-[4-(dimethylsulfamoyl)phenyl]-N-(4-methylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 25214941
N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3528200
(2E)-4-(4-ethylphenyl)-N-(2,4,6-trimethylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6373641
3-[2-[cyano-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methylidene]hydrazinyl]-N-hydroxybenzeneamine oxide
CID 163170507

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile (CID 154945857) is 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile is N#CC(=NN)c1nc(-c2ccc(-c3ncccn3)cc2)cs1.
What is the InChIKey of 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is NAVDYIQVGVJSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6S/c16-8-12(21-17)15-20-13(9-22-15)10-2-4-11(5-3-10)14-18-6-1-7-19-14/h1-7,9H,17H2.
What are the key properties of 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile?
2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 306.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylidene-2-[4-(4-pyrimidin-2-ylphenyl)-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 154945857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).