4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione

C16H15FN2OS2 — CID 118670294

IUPAC4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione
SMILESCc1ccc(F)cc1C1(O)CSC(=S)N1Cc1cccnc1
InChIInChI=1S/C16H15FN2OS2/c1-11-4-5-13(17)7-14(11)16(20)10-22-15(21)19(16)9-12-3-2-6-18-8-12/h2-8,20H,9-10H2,1H3
InChIKeyQTLMDGAQFFQLHK-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.21
Rot. Bonds3

About 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione

4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione (PubChem CID 118670294) has the molecular formula C16H15FN2OS2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione
PubChem CID118670294
Molecular FormulaC16H15FN2OS2
Molecular Weight334.44 g/mol
Exact Mass334.06
IUPAC Name4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione
SMILESCc1ccc(F)cc1C1(O)CSC(=S)N1Cc1cccnc1
InChIInChI=1S/C16H15FN2OS2/c1-11-4-5-13(17)7-14(11)16(20)10-22-15(21)19(16)9-12-3-2-6-18-8-12/h2-8,20H,9-10H2,1H3
InChIKeyQTLMDGAQFFQLHK-UHFFFAOYSA-N
XLogP3.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione
CID 118668000
N-[4-[4-hydroxy-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-yl]phenyl]methanesulfonamide
CID 145951701
1-(3,4-Difluorophenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanol
CID 49778446
1-(3-Fluorophenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethanol
CID 49786306
3-Ethyl-4-phenyl-2-(3-pyridinylimino)-1,3-thiazolidin-4-ol
CID 3115190
4-Phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
CID 3450070
8-Fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol
CID 166448619
3-(2-Methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-OL
CID 77084509
Thiazolidine-2-thione, 4-(4-fluorophenyl)-4-hydroxy-3-(3-pyridylmethyl)-
CID 579334
[5-(2,3-Dihydrothiophen-5-yl)-3-(2-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883200
[5-(2,3-Dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883307
[5-(2,3-Dihydrothiophen-5-yl)-3-(4-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883321

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione (CID 118670294) is 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione is Cc1ccc(F)cc1C1(O)CSC(=S)N1Cc1cccnc1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione?
The InChIKey is QTLMDGAQFFQLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS2/c1-11-4-5-13(17)7-14(11)16(20)10-22-15(21)19(16)9-12-3-2-6-18-8-12/h2-8,20H,9-10H2,1H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione?
4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione has a molecular weight of 334.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 118670294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).