3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

C19H19N3O2S2 — CID 23792013

IUPAC3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESO=[N+]([O-])c1ccccc1/N=c1\scc(-c2cccs2)n1C1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-22(24)16-10-5-4-9-15(16)20-19-21(14-7-2-1-3-8-14)17(13-26-19)18-11-6-12-25-18/h4-6,9-14H,1-3,7-8H2/b20-19-
InChIKeyVIWAXVXWUDUXEZ-VXPUYCOJSA-N
MW385.51 g/mol
LogP5.92
Rot. Bonds4

About 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23792013) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23792013
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESO=[N+]([O-])c1ccccc1/N=c1\scc(-c2cccs2)n1C1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-22(24)16-10-5-4-9-15(16)20-19-21(14-7-2-1-3-8-14)17(13-26-19)18-11-6-12-25-18/h4-6,9-14H,1-3,7-8H2/b20-19-
InChIKeyVIWAXVXWUDUXEZ-VXPUYCOJSA-N
XLogP5.92
TPSA60.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', '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-cyclohexyl-4-(4-fluorophenyl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23912390
4-(4-chlorophenyl)-3-cyclopentyl-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23931497
3-cycloheptyl-N-(2-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine
CID 23736664
3-cyclohexyl-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 20994492
3-(5-methylhexan-2-yl)-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23769735
ethyl 4-[2-(2-nitrophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]butanoate
CID 23935863
3-cyclopentyl-N-(2,4-difluorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23822632
4-(4-cyclohexylphenyl)-N-(2-nitrophenyl)-3-pentan-2-yl-1,3-thiazol-2-imine
CID 23821694
3-cyclooctyl-N-(3,4-dichlorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23996195
3-cyclopentyl-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-N-(4-nitronaphthalen-1-yl)-1,3-thiazol-2-imine
CID 174451931
3-cyclopentyl-4-(furan-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23740254
3-(cyclooctylideneamino)-4-(2,5-dichlorophenyl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine
CID 23989799

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23792013) is 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is O=[N+]([O-])c1ccccc1/N=c1\scc(-c2cccs2)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is VIWAXVXWUDUXEZ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-22(24)16-10-5-4-9-15(16)20-19-21(14-7-2-1-3-8-14)17(13-26-19)18-11-6-12-25-18/h4-6,9-14H,1-3,7-8H2/b20-19-.
What are the key properties of 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 385.51 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23792013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).