4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione

C18H16N2OS2 — CID 149056885

IUPAC4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione
SMILESOC1(c2ccccc2)CSC(=S)N1CC1=Nc2ccccc2C1
InChIInChI=1S/C18H16N2OS2/c21-18(14-7-2-1-3-8-14)12-23-17(22)20(18)11-15-10-13-6-4-5-9-16(13)19-15/h1-9,21H,10-12H2
InChIKeyQLABXQKSEUXGBR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.49
Rot. Bonds3

About 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione

4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione (PubChem CID 149056885) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione
PubChem CID149056885
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione
SMILESOC1(c2ccccc2)CSC(=S)N1CC1=Nc2ccccc2C1
InChIInChI=1S/C18H16N2OS2/c21-18(14-7-2-1-3-8-14)12-23-17(22)20(18)11-15-10-13-6-4-5-9-16(13)19-15/h1-9,21H,10-12H2
InChIKeyQLABXQKSEUXGBR-UHFFFAOYSA-N
XLogP3.49
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.49
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

3-benzyl-2-methylidene-4-phenyl-1,3-thiazolidin-4-ol
CID 139469582
1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)methanamine
CID 59163627
3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
CID 23458665
CID 20813056
CID 20813056
1-(3H-indol-2-yl)-N,N-bis(3H-indol-2-ylmethyl)methanamine
CID 170003747
3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid;N-ethylethanamine
CID 21121977
2-[2-(3H-indol-2-yl)ethyl]quinoxaline
CID 157294886
2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine
CID 154453212
3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol
CID 4224550
2-[2-(3H-indol-2-yl)ethyl]-3H-quinazolin-4-one
CID 147235062
dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine
CID 59163589
N-(3H-indol-2-ylmethyl)-2,2-dimethylpropanamide
CID 158732951

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione (CID 149056885) is 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione is OC1(c2ccccc2)CSC(=S)N1CC1=Nc2ccccc2C1.
What is the InChIKey of 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione?
The InChIKey is QLABXQKSEUXGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c21-18(14-7-2-1-3-8-14)12-23-17(22)20(18)11-15-10-13-6-4-5-9-16(13)19-15/h1-9,21H,10-12H2.
What are the key properties of 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione?
4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione has a molecular weight of 340.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3H-indol-2-ylmethyl)-4-phenyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 149056885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).