4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one

C10H7F3N2OS — CID 135711801

IUPAC4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N/c2cccc(C(F)(F)F)c2)CS1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)6-2-1-3-7(4-6)14-8-5-17-9(16)15-8/h1-4H,5H2,(H,14,15,16)
InChIKeyISJLJLAEQDNHGZ-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.19
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one

4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one (PubChem CID 135711801) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
PubChem CID135711801
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N/c2cccc(C(F)(F)F)c2)CS1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)6-2-1-3-7(4-6)14-8-5-17-9(16)15-8/h1-4H,5H2,(H,14,15,16)
InChIKeyISJLJLAEQDNHGZ-UHFFFAOYSA-N
XLogP3.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-m-Tolylamino-thiazol-4-one
CID 135415496
4-(Phenylamino)-2(5H)-thiazolone
CID 135412584
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
(Z)-4-(p-tolylimino)thiazolidin-2-one
CID 135399106
(Z)-4-((4-fluorophenyl)imino)thiazolidin-2-one
CID 135399109
(Z)-4-(m-tolylimino)thiazolidin-2-one
CID 135399114
2-((2-(trifluoromethyl)phenyl)amino)thiazol-4(5H)-one
CID 135401634
(1Z)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-[3-(trifluoromethyl)phenyl]urea
CID 135488776
2-sulfanyl-N'-[3-(trifluoromethyl)phenyl]ethanimidamide
CID 88909310
5-Methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989061
2-[4-(Trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 136934103
(1-Amino-2-sulfanylethylidene)-[3-(trifluoromethyl)phenyl]azanium
CID 140655464

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one (CID 135711801) is 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one is O=C1N/C(=N/c2cccc(C(F)(F)F)c2)CS1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one?
The InChIKey is ISJLJLAEQDNHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)6-2-1-3-7(4-6)14-8-5-17-9(16)15-8/h1-4H,5H2,(H,14,15,16).
What are the key properties of 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one?
4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one has a molecular weight of 260.24 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135711801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).