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

C18H11N5S — CID 169340937

IUPAC2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H11N5S/c19-10-16(11-20)23-22-15-8-4-7-14(9-15)17-12-24-18(21-17)13-5-2-1-3-6-13/h1-9,12,22H
InChIKeyDUEBZYCYMYBUTM-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.29
Rot. Bonds4

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

2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340937) has the molecular formula C18H11N5S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340937
Molecular FormulaC18H11N5S
Molecular Weight329.39 g/mol
Exact Mass329.07
IUPAC Name2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H11N5S/c19-10-16(11-20)23-22-15-8-4-7-14(9-15)17-12-24-18(21-17)13-5-2-1-3-6-13/h1-9,12,22H
InChIKeyDUEBZYCYMYBUTM-UHFFFAOYSA-N
XLogP4.29
TPSA84.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(1Z)-2-amino-2-imino-N-[3-(2-phenyl-1,3-thiazol-4-yl)anilino]ethanimidoyl cyanide
CID 172979286
2-[[3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340608
2-[[3-(4-phenyl-1,3-thiazol-2-yl)anilino]methylidene]propanedinitrile
CID 168544214
(1Z)-2-amino-2-imino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)anilino]ethanimidoyl cyanide
CID 172978503
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
3-cyano-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286155
2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340828
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
2-[3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]anilino]ethene-1,1,2-tricarbonitrile
CID 168609712
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086468

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169340937) is 2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is DUEBZYCYMYBUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5S/c19-10-16(11-20)23-22-15-8-4-7-14(9-15)17-12-24-18(21-17)13-5-2-1-3-6-13/h1-9,12,22H.
What are the key properties of 2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 329.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).