(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea

C10H15N3O2S — CID 135643498

IUPAC(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
SMILESO=C1CS/C(=N/C(=O)NC2CCCCC2)N1
InChIInChI=1S/C10H15N3O2S/c14-8-6-16-10(12-8)13-9(15)11-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,12,13,14,15)
InChIKeyYXYPALLGJFCPDZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.25
Rot. Bonds1

About (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea

(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea (PubChem CID 135643498) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea.

Molecular Properties

Compound Name(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
PubChem CID135643498
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea
SMILESO=C1CS/C(=N/C(=O)NC2CCCCC2)N1
InChIInChI=1S/C10H15N3O2S/c14-8-6-16-10(12-8)13-9(15)11-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,12,13,14,15)
InChIKeyYXYPALLGJFCPDZ-UHFFFAOYSA-N
XLogP1.25
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.25
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

1-cyclohexyl-3-[(5R)-5-fluoro-4-oxo-5-(trifluoromethyl)-1,3-thiazolidin-2-ylidene]urea
CID 136718857
2-cyclohexylimino-1,3-thiazolidin-4-one
CID 135416648
(2Z)-2-(1-cyclohexylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137190321
2-ethoxy-N-(4-oxo-1,3-thiazolidin-2-ylidene)acetamide
CID 137194848
2-(cyclopropylmethylimino)-1,3-thiazolidin-4-one
CID 135990436
(3Z)-1-cyclohexyl-3-(1-hydroxy-6-methyl-2-pyridinylidene)urea
CID 134104984
1-cyclopentyl-3-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]urea
CID 110776133
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
N-cycloheptyl-2-methyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 20923258
1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-cyclooctyl-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide
CID 20911788
(2E)-2-[(Z)-(2-tert-butylcyclohexylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 137100915

Frequently Asked Questions

What is the IUPAC name of (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea?
The IUPAC name of (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea (CID 135643498) is (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea.
What is the SMILES notation for (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea?
The canonical SMILES for (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea is O=C1CS/C(=N/C(=O)NC2CCCCC2)N1.
What is the InChIKey of (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea?
The InChIKey is YXYPALLGJFCPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-8-6-16-10(12-8)13-9(15)11-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,12,13,14,15).
What are the key properties of (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea?
(3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea has a molecular weight of 241.32 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-cyclohexyl-3-(4-oxo-1,3-thiazolidin-2-ylidene)urea is sourced from PubChem (CID 135643498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).