2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one

C10H9FN2OS — CID 1495114

IUPAC2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1ccc(F)cc1
InChIInChI=1S/C10H9FN2OS/c1-13-9(14)6-15-10(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3/b12-10-
InChIKeyIPFCMDRWEZKXPZ-BENRWUELSA-N
MW224.26 g/mol
LogP2.02
Rot. Bonds1

About 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one

2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 1495114) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID1495114
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1ccc(F)cc1
InChIInChI=1S/C10H9FN2OS/c1-13-9(14)6-15-10(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3/b12-10-
InChIKeyIPFCMDRWEZKXPZ-BENRWUELSA-N
XLogP2.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Phenylamino)-4,5-dihydro-1,3-thiazol-4-one
CID 135406265
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one
CID 135566336
2-[(4-Fluorophenyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135426081
2-[(2-Chlorophenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1377865
2-(diethylamino)-2-oxoethyl N'-cyano-N-(2-fluorophenyl)carbamimidothioate
CID 660825
2-(2-Fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135581720
2-(2,4-Difluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989130
2-(4-Fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989381
2-(2,5-Difluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989523
5-Ethyl-2-(2-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 136169588
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(2-fluoro-phenyl)-acetamide
CID 646627
N-(2-fluorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3441571

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 1495114) is 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)CS/C1=N\c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is IPFCMDRWEZKXPZ-BENRWUELSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-13-9(14)6-15-10(13)12-8-4-2-7(11)3-5-8/h2-5H,6H2,1H3/b12-10-.
What are the key properties of 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 224.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1495114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).