(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea

C17H23N3O2S — CID 170761976

IUPAC(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea
SMILESCc1ccc(C(C)C)c(N2C(=O)CS/C2=N\C(=O)NC(C)C)c1
InChIInChI=1S/C17H23N3O2S/c1-10(2)13-7-6-12(5)8-14(13)20-15(21)9-23-17(20)19-16(22)18-11(3)4/h6-8,10-11H,9H2,1-5H3,(H,18,22)/b19-17-
InChIKeyUZPJGFJHSVBGCE-ZPHPHTNESA-N
MW333.46 g/mol
LogP3.67
Rot. Bonds3

About (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea

(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea (PubChem CID 170761976) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea.

Molecular Properties

Compound Name(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea
PubChem CID170761976
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea
SMILESCc1ccc(C(C)C)c(N2C(=O)CS/C2=N\C(=O)NC(C)C)c1
InChIInChI=1S/C17H23N3O2S/c1-10(2)13-7-6-12(5)8-14(13)20-15(21)9-23-17(20)19-16(22)18-11(3)4/h6-8,10-11H,9H2,1-5H3,(H,18,22)/b19-17-
InChIKeyUZPJGFJHSVBGCE-ZPHPHTNESA-N
XLogP3.67
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea?
The IUPAC name of (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea (CID 170761976) is (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea.
What is the SMILES notation for (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea?
The canonical SMILES for (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea is Cc1ccc(C(C)C)c(N2C(=O)CS/C2=N\C(=O)NC(C)C)c1.
What is the InChIKey of (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea?
The InChIKey is UZPJGFJHSVBGCE-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-10(2)13-7-6-12(5)8-14(13)20-15(21)9-23-17(20)19-16(22)18-11(3)4/h6-8,10-11H,9H2,1-5H3,(H,18,22)/b19-17-.
What are the key properties of (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea?
(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea has a molecular weight of 333.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-propan-2-ylurea is sourced from PubChem (CID 170761976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).