(3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea

C11H10ClN3O2S — CID 135795638

IUPAC(3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea
SMILESC[C@@H]1S/C(=N\C(=O)Nc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C11H10ClN3O2S/c1-6-9(16)14-11(18-6)15-10(17)13-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,14,15,16,17)/t6-/m0/s1
InChIKeyIEHUWDYGSVPWTE-LURJTMIESA-N
MW283.74 g/mol
LogP2.48
Rot. Bonds1

About (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea

(3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea (PubChem CID 135795638) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea.

Molecular Properties

Compound Name(3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea
PubChem CID135795638
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name(3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea
SMILESC[C@@H]1S/C(=N\C(=O)Nc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C11H10ClN3O2S/c1-6-9(16)14-11(18-6)15-10(17)13-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,14,15,16,17)/t6-/m0/s1
InChIKeyIEHUWDYGSVPWTE-LURJTMIESA-N
XLogP2.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
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

2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
CID 135857052
(5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135935638
2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 135714581
1-(4-chlorophenyl)-3-(1-hydroxy-4-pyridinylidene)urea
CID 134095263
N-(4-chlorophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135462150
(2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135465341
2-[(5R)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135691883
N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441837
N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl bromide
CID 115193305
N-(4-chlorophenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020224
N-(4-chlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220255
N-(4-chlorophenyl)-2-[2-(1-cyclohexylethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135408871

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea?
The IUPAC name of (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea (CID 135795638) is (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea.
What is the SMILES notation for (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea?
The canonical SMILES for (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea is C[C@@H]1S/C(=N\C(=O)Nc2ccc(Cl)cc2)NC1=O.
What is the InChIKey of (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea?
The InChIKey is IEHUWDYGSVPWTE-LURJTMIESA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-6-9(16)14-11(18-6)15-10(17)13-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,14,15,16,17)/t6-/m0/s1.
What are the key properties of (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea?
(3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea has a molecular weight of 283.74 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 (3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea is sourced from PubChem (CID 135795638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).