3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

C18H23N3OS — CID 23794638

IUPAC3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccco2)n1N=CC1CCCCC1
InChIInChI=1S/C18H23N3OS/c1-14(2)11-19-18-21(20-12-15-7-4-3-5-8-15)16(13-23-18)17-9-6-10-22-17/h6,9-10,12-13,15H,1,3-5,7-8,11H2,2H3/b19-18-,20-12?
InChIKeyGMLDZJAWKULFFV-XEAJZJHLSA-N
MW329.47 g/mol
LogP4.70
Rot. Bonds5

About 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine

3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (PubChem CID 23794638) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
PubChem CID23794638
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccco2)n1N=CC1CCCCC1
InChIInChI=1S/C18H23N3OS/c1-14(2)11-19-18-21(20-12-15-7-4-3-5-8-15)16(13-23-18)17-9-6-10-22-17/h6,9-10,12-13,15H,1,3-5,7-8,11H2,2H3/b19-18-,20-12?
InChIKeyGMLDZJAWKULFFV-XEAJZJHLSA-N
XLogP4.70
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine (CID 23794638) is 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccco2)n1N=CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
The InChIKey is GMLDZJAWKULFFV-XEAJZJHLSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14(2)11-19-18-21(20-12-15-7-4-3-5-8-15)16(13-23-18)17-9-6-10-22-17/h6,9-10,12-13,15H,1,3-5,7-8,11H2,2H3/b19-18-,20-12?.
What are the key properties of 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine?
3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine has a molecular weight of 329.47 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylideneamino)-4-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23794638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).