3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea

C18H18FN3O2S — CID 46132400

IUPAC3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O2S/c1-21(2)18(24)20-14-7-3-12(4-8-14)17-22(16(23)11-25-17)15-9-5-13(19)6-10-15/h3-10,17H,11H2,1-2H3,(H,20,24)
InChIKeyHIKSIBUSPDPDQE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.70
Rot. Bonds3

About 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea

3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea (PubChem CID 46132400) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea
PubChem CID46132400
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O2S/c1-21(2)18(24)20-14-7-3-12(4-8-14)17-22(16(23)11-25-17)15-9-5-13(19)6-10-15/h3-10,17H,11H2,1-2H3,(H,20,24)
InChIKeyHIKSIBUSPDPDQE-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588
N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 71956464
4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124768
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
2,2-dimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 93126889
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
CID 42804052
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 24715605
N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
CID 93127787
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
2-fluoro-N-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125379

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea (CID 46132400) is 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea is CN(C)C(=O)Nc1ccc(C2SCC(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea?
The InChIKey is HIKSIBUSPDPDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-21(2)18(24)20-14-7-3-12(4-8-14)17-22(16(23)11-25-17)15-9-5-13(19)6-10-15/h3-10,17H,11H2,1-2H3,(H,20,24).
What are the key properties of 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea?
3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea has a molecular weight of 359.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 46132400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).