1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea

C10H9ClN4O2S — CID 173343875

IUPAC1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
SMILESO=C1CS/C(=N/NC(=O)Nc2ccc(Cl)cc2)N1
InChIInChI=1S/C10H9ClN4O2S/c11-6-1-3-7(4-2-6)12-9(17)14-15-10-13-8(16)5-18-10/h1-4H,5H2,(H2,12,14,17)(H,13,15,16)
InChIKeyGQKWCSRQQLOIKZ-UHFFFAOYSA-N
MW284.73 g/mol
LogP1.60
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea

1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea (PubChem CID 173343875) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
PubChem CID173343875
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Name1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
SMILESO=C1CS/C(=N/NC(=O)Nc2ccc(Cl)cc2)N1
InChIInChI=1S/C10H9ClN4O2S/c11-6-1-3-7(4-2-6)12-9(17)14-15-10-13-8(16)5-18-10/h1-4H,5H2,(H2,12,14,17)(H,13,15,16)
InChIKeyGQKWCSRQQLOIKZ-UHFFFAOYSA-N
XLogP1.60
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
CID 135399110
(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
CID 135501318
1-butyl-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
CID 173343831
N-(4-chlorophenyl)-3-[(3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide
CID 126459842
[1-[4-chloro-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]anilino]-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 154065909
(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135643202
N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441837
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
1-(4-chlorophenyl)-3-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]urea
CID 110747582
1-(4-chlorophenyl)-3-[(E)-(2,3-dimethyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]urea
CID 135967871
4-[[(2Z,6S)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
CID 136915474
1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 840553

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea (CID 173343875) is 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea is O=C1CS/C(=N/NC(=O)Nc2ccc(Cl)cc2)N1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea?
The InChIKey is GQKWCSRQQLOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c11-6-1-3-7(4-2-6)12-9(17)14-15-10-13-8(16)5-18-10/h1-4H,5H2,(H2,12,14,17)(H,13,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea?
1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea has a molecular weight of 284.73 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea is sourced from PubChem (CID 173343875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).