4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile

C16H14N4S — CID 123742783

IUPAC4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(NN=C3C=CCCC3)n2)cc1
InChIInChI=1S/C16H14N4S/c17-10-12-6-8-13(9-7-12)15-11-21-16(18-15)20-19-14-4-2-1-3-5-14/h2,4,6-9,11H,1,3,5H2,(H,18,20)
InChIKeyUBNJNHSROGVKFT-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.19
Rot. Bonds3

About 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile

4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 123742783) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID123742783
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(NN=C3C=CCCC3)n2)cc1
InChIInChI=1S/C16H14N4S/c17-10-12-6-8-13(9-7-12)15-11-21-16(18-15)20-19-14-4-2-1-3-5-14/h2,4,6-9,11H,1,3,5H2,(H,18,20)
InChIKeyUBNJNHSROGVKFT-UHFFFAOYSA-N
XLogP4.19
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile (CID 123742783) is 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile is N#Cc1ccc(-c2csc(NN=C3C=CCCC3)n2)cc1.
What is the InChIKey of 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is UBNJNHSROGVKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c17-10-12-6-8-13(9-7-12)15-11-21-16(18-15)20-19-14-4-2-1-3-5-14/h2,4,6-9,11H,1,3,5H2,(H,18,20).
What are the key properties of 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile?
4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 294.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 123742783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).