2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

C18H24N2OS — CID 135989662

IUPAC2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/c2ccc(C3CCCCC3)cc2)NC1=O
InChIInChI=1S/C18H24N2OS/c1-12(2)16-17(21)20-18(22-16)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13,16H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyKCPXXPAUXJLANH-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.61
Rot. Bonds3

About 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one

2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989662) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989662
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/c2ccc(C3CCCCC3)cc2)NC1=O
InChIInChI=1S/C18H24N2OS/c1-12(2)16-17(21)20-18(22-16)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13,16H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyKCPXXPAUXJLANH-UHFFFAOYSA-N
XLogP4.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-p-Tolylamino-thiazol-4-one
CID 135411781
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one
CID 135566336
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
5-Methyl-5-(propan-2-yl)-2-{[2-(trifluoromethyl)phenyl]amino}-4,5-dihydro-1,3-thiazol-4-one
CID 135678109
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-((2,4-Dimethylphenyl)amino)-4,5-dihydro-1,3-thiazol-4-one
CID 135415560
2-(3,5-Dimethyl-phenylimino)-thiazolidin-4-one
CID 135459529
2-(3,4-Dimethylanilino)-1,3-thiazol-4-one
CID 135468636
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
5-Isopropyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135414361

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989662) is 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N/c2ccc(C3CCCCC3)cc2)NC1=O.
What is the InChIKey of 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is KCPXXPAUXJLANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-12(2)16-17(21)20-18(22-16)19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13,16H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 316.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).