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

C16H16N4S — CID 90676871

IUPAC4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCC1CC/C(=N/Nc2nc(-c3ccc(C#N)cc3)cs2)C1
InChIInChI=1S/C16H16N4S/c1-11-2-7-14(8-11)19-20-16-18-15(10-21-16)13-5-3-12(9-17)4-6-13/h3-6,10-11H,2,7-8H2,1H3,(H,18,20)/b19-14-
InChIKeyCWXSKBDUPSQAGF-RGEXLXHISA-N
MW296.40 g/mol
LogP4.27
Rot. Bonds3

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

4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 90676871) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID90676871
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCC1CC/C(=N/Nc2nc(-c3ccc(C#N)cc3)cs2)C1
InChIInChI=1S/C16H16N4S/c1-11-2-7-14(8-11)19-20-16-18-15(10-21-16)13-5-3-12(9-17)4-6-13/h3-6,10-11H,2,7-8H2,1H3,(H,18,20)/b19-14-
InChIKeyCWXSKBDUPSQAGF-RGEXLXHISA-N
XLogP4.27
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.27
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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Related Compounds

4-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
N-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 19133250
N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine
CID 11820967
4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine
CID 90656446
4-[2-(2-cyclohex-2-en-1-ylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile
CID 123742783
4-(4-chlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]-1,3-thiazol-2-amine
CID 155524455
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248
4-(4-chlorophenyl)-N-[(E)-(2-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 52949315
4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine
CID 71472465
4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71456516
4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 169490567

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (CID 90676871) is 4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is CC1CC/C(=N/Nc2nc(-c3ccc(C#N)cc3)cs2)C1.
What is the InChIKey of 4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is CWXSKBDUPSQAGF-RGEXLXHISA-N. The full InChI is InChI=1S/C16H16N4S/c1-11-2-7-14(8-11)19-20-16-18-15(10-21-16)13-5-3-12(9-17)4-6-13/h3-6,10-11H,2,7-8H2,1H3,(H,18,20)/b19-14-.
What are the key properties of 4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 296.40 g/mol, XLogP of 4.27, 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-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 90676871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).