1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea

C11H13F4N3O2S — CID 136718857

IUPAC1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea
SMILESO=C(N=C1NC(=O)[C@](F)(C(F)(F)F)S1)NC1CCCCC1
InChIInChI=1S/C11H13F4N3O2S/c12-10(11(13,14)15)7(19)17-9(21-10)18-8(20)16-6-4-2-1-3-5-6/h6H,1-5H2,(H2,16,17,18,19,20)/t10-/m1/s1
InChIKeyDYDGFCBOGJGMLI-SNVBAGLBSA-N
MW327.30 g/mol
LogP2.48
Rot. Bonds1

About 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea

1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea (PubChem CID 136718857) has the molecular formula C11H13F4N3O2S and a molecular weight of 327.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea
PubChem CID136718857
Molecular FormulaC11H13F4N3O2S
Molecular Weight327.30 g/mol
Exact Mass327.07
IUPAC Name1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea
SMILESO=C(N=C1NC(=O)[C@](F)(C(F)(F)F)S1)NC1CCCCC1
InChIInChI=1S/C11H13F4N3O2S/c12-10(11(13,14)15)7(19)17-9(21-10)18-8(20)16-6-4-2-1-3-5-6/h6H,1-5H2,(H2,16,17,18,19,20)/t10-/m1/s1
InChIKeyDYDGFCBOGJGMLI-SNVBAGLBSA-N
XLogP2.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
CID 135643498
N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
CID 3360034
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438443
N-cyclopentyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113224088
(3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea
CID 134104984
N-cycloheptylcycloheptanecarboxamide
CID 129091005
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 4201164
N-cyclopentyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310113
N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 573411

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea?
The IUPAC name of 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea (CID 136718857) is 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea?
The canonical SMILES for 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea is O=C(N=C1NC(=O)[C@](F)(C(F)(F)F)S1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea?
The InChIKey is DYDGFCBOGJGMLI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13F4N3O2S/c12-10(11(13,14)15)7(19)17-9(21-10)18-8(20)16-6-4-2-1-3-5-6/h6H,1-5H2,(H2,16,17,18,19,20)/t10-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea?
1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea has a molecular weight of 327.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea is sourced from PubChem (CID 136718857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).