(1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea

C11H8F3N3O2S — CID 135488776

IUPAC(1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C1CS/C(=N\C(=O)Nc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)6-2-1-3-7(4-6)15-9(19)17-10-16-8(18)5-20-10/h1-4H,5H2,(H2,15,16,17,18,19)
InChIKeyMMAXUSJXWMRTEO-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.46
Rot. Bonds1

About (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea

(1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 135488776) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name(1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID135488776
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name(1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C1CS/C(=N\C(=O)Nc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)6-2-1-3-7(4-6)15-9(19)17-10-16-8(18)5-20-10/h1-4H,5H2,(H2,15,16,17,18,19)
InChIKeyMMAXUSJXWMRTEO-UHFFFAOYSA-N
XLogP2.46
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.46
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-m-Tolylamino-thiazol-4-one
CID 135415496
3-m-Tolyl-3,4-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1387917
5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
5-(isopropylthio)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ol
CID 2743359
N-[3-methyl-1,3-thiazol-2(3H)-yliden]-N'-[3-(trifluoromethyl)phenyl]urea
CID 5900980
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
2-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
5-Propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135950129
2-(m-toluidino)-5-ethylthiazol-4(5H)-one
CID 135442744
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2939431
2-[4-oxo-2-(1-piperidinyl)-5-thiazolyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3886672

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea (CID 135488776) is (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea is O=C1CS/C(=N\C(=O)Nc2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is MMAXUSJXWMRTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-11(13,14)6-2-1-3-7(4-6)15-9(19)17-10-16-8(18)5-20-10/h1-4H,5H2,(H2,15,16,17,18,19).
What are the key properties of (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea?
(1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 303.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 135488776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).