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

C17H18N4S — CID 44587536

IUPAC4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCC1CCCC/C1=N/Nc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C17H18N4S/c1-12-4-2-3-5-15(12)20-21-17-19-16(11-22-17)14-8-6-13(10-18)7-9-14/h6-9,11-12H,2-5H2,1H3,(H,19,21)/b20-15-
InChIKeyURFCVNLIHMXZAL-HKWRFOASSA-N
MW310.43 g/mol
LogP4.66
Rot. Bonds3

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

4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 44587536) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID44587536
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCC1CCCC/C1=N/Nc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C17H18N4S/c1-12-4-2-3-5-15(12)20-21-17-19-16(11-22-17)14-8-6-13(10-18)7-9-14/h6-9,11-12H,2-5H2,1H3,(H,19,21)/b20-15-
InChIKeyURFCVNLIHMXZAL-HKWRFOASSA-N
XLogP4.66
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.66
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-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (CID 44587536) is 4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is CC1CCCC/C1=N/Nc1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is URFCVNLIHMXZAL-HKWRFOASSA-N. The full InChI is InChI=1S/C17H18N4S/c1-12-4-2-3-5-15(12)20-21-17-19-16(11-22-17)14-8-6-13(10-18)7-9-14/h6-9,11-12H,2-5H2,1H3,(H,19,21)/b20-15-.
What are the key properties of 4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 310.43 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 44587536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).