N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine

C21H21N3S — CID 23851692

IUPACN-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine
SMILESc1ccc(C/N=c2\scc(-c3ccccc3)n2N=C2CCCC2)cc1
InChIInChI=1S/C21H21N3S/c1-3-9-17(10-4-1)15-22-21-24(23-19-13-7-8-14-19)20(16-25-21)18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2/b22-21-
InChIKeyNFDYPMRKBHKHSM-DQRAZIAOSA-N
MW347.49 g/mol
LogP5.10
Rot. Bonds4

About N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine

N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine (PubChem CID 23851692) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine
PubChem CID23851692
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC NameN-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine
SMILESc1ccc(C/N=c2\scc(-c3ccccc3)n2N=C2CCCC2)cc1
InChIInChI=1S/C21H21N3S/c1-3-9-17(10-4-1)15-22-21-24(23-19-13-7-8-14-19)20(16-25-21)18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2/b22-21-
InChIKeyNFDYPMRKBHKHSM-DQRAZIAOSA-N
XLogP5.10
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(cyclooctylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 23885359
3-(cyclohexylideneamino)-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7974852
3-(cyclohexylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
CID 23849821
3-(cycloheptylideneamino)-N-(2-methylprop-2-enyl)-4-phenyl-1,3-thiazol-2-imine
CID 23798776
3-(cyclohexylideneamino)-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 7975580
N-benzyl-3-[(5-nitrofuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 23818844
N-benzyl-4-(4-bromophenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23992225
4-[[3-(cyclopentylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23848301
N-ethyl-3-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23767327
N-benzyl-3-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine
CID 7614940
3-(cyclohexylideneamino)-4-(2,4-dichlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23856536
6-[3-(cyclopentylideneamino)-2-ethylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2998954

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine (CID 23851692) is N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine is c1ccc(C/N=c2\scc(-c3ccccc3)n2N=C2CCCC2)cc1.
What is the InChIKey of N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is NFDYPMRKBHKHSM-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H21N3S/c1-3-9-17(10-4-1)15-22-21-24(23-19-13-7-8-14-19)20(16-25-21)18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2/b22-21-.
What are the key properties of N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine?
N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 347.49 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(cyclopentylideneamino)-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23851692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).