N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine

C30H28N4O2S — CID 23798493

IUPACN-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C30H28N4O2S/c1-20(22-13-16-28-24(17-22)18-23-7-5-6-10-27(23)28)32-33-29(21-11-14-26(15-12-21)34(35)36)19-37-30(33)31-25-8-3-2-4-9-25/h5-7,10-17,19,25H,2-4,8-9,18H2,1H3/b31-30-,32-20?
InChIKeyXFAVDTUVQHLGTQ-DVGYYIJASA-N
MW508.65 g/mol
LogP7.20
Rot. Bonds5

About N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine

N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine (PubChem CID 23798493) has the molecular formula C30H28N4O2S and a molecular weight of 508.65 g/mol. Its IUPAC name is N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine
PubChem CID23798493
Molecular FormulaC30H28N4O2S
Molecular Weight508.65 g/mol
Exact Mass508.19
IUPAC NameN-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine
SMILESCC(=Nn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C30H28N4O2S/c1-20(22-13-16-28-24(17-22)18-23-7-5-6-10-27(23)28)32-33-29(21-11-14-26(15-12-21)34(35)36)19-37-30(33)31-25-8-3-2-4-9-25/h5-7,10-17,19,25H,2-4,8-9,18H2,1H3/b31-30-,32-20?
InChIKeyXFAVDTUVQHLGTQ-DVGYYIJASA-N
XLogP7.20
TPSA72.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.65
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-N-(4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23828194
3-[1-(4-methylphenyl)ethylideneamino]-N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23767388
6-[2-cyclohexylimino-3-[(4-nitrophenyl)methylideneamino]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23847312
3-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-N-(2-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23961993
2-[N-[2-cyclohexylimino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 4039525
N-(3,4-dimethylphenyl)-3-[1-(4-nitrophenyl)ethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23964786
N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-imine
CID 23768745
N-(2,4-difluorophenyl)-4-(4-nitrophenyl)-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine
CID 23878058
4-(4-bromophenyl)-3-[1-(4-chloro-3-nitrophenyl)ethylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23824830
6-[2-cyclohexylimino-3-(5-methylhexan-2-ylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23939679
2-(7-nitro-9H-fluoren-2-yl)isoindole-1,3-dione
CID 3874335
4-[C-methyl-N-[4-(4-nitrophenyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazol-3-yl]carbonimidoyl]benzene-1,3-diol
CID 135719459

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine?
The IUPAC name of N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine (CID 23798493) is N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine is CC(=Nn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C1CCCCC1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine?
The InChIKey is XFAVDTUVQHLGTQ-DVGYYIJASA-N. The full InChI is InChI=1S/C30H28N4O2S/c1-20(22-13-16-28-24(17-22)18-23-7-5-6-10-27(23)28)32-33-29(21-11-14-26(15-12-21)34(35)36)19-37-30(33)31-25-8-3-2-4-9-25/h5-7,10-17,19,25H,2-4,8-9,18H2,1H3/b31-30-,32-20?.
What are the key properties of N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine?
N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine has a molecular weight of 508.65 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[1-(9H-fluoren-2-yl)ethylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23798493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).