4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione

C14H20N2OS2 — CID 571499

IUPAC4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione
SMILESCC(C)(C)C1(O)CSC(=S)N1CCc1ccccn1
InChIInChI=1S/C14H20N2OS2/c1-13(2,3)14(17)10-19-12(18)16(14)9-7-11-6-4-5-8-15-11/h4-6,8,17H,7,9-10H2,1-3H3
InChIKeySCWOWXPYOZWAQK-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.69
Rot. Bonds3

About 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione

4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione (PubChem CID 571499) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione
PubChem CID571499
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione
SMILESCC(C)(C)C1(O)CSC(=S)N1CCc1ccccn1
InChIInChI=1S/C14H20N2OS2/c1-13(2,3)14(17)10-19-12(18)16(14)9-7-11-6-4-5-8-15-11/h4-6,8,17H,7,9-10H2,1-3H3
InChIKeySCWOWXPYOZWAQK-UHFFFAOYSA-N
XLogP2.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.69
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

1,7,9-trimethyl-3,5,12-tris(2-pyridin-2-ylethyl)-3,5,12-triazatetracyclo[5.3.1.12,6.04,9]dodecane
CID 10530041
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)-1,3-thiazolidin-4-ol
CID 127049749
8-methyl-3-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960168
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
[3-methyl-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]methanol
CID 102788197
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
6-bromo-3-(2-pyridin-2-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306601
5-methyl-3-(2-pyridin-2-ylethyl)-1,3-thiazinan-2-amine
CID 175881809
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione (CID 571499) is 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione is CC(C)(C)C1(O)CSC(=S)N1CCc1ccccn1.
What is the InChIKey of 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione?
The InChIKey is SCWOWXPYOZWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-13(2,3)14(17)10-19-12(18)16(14)9-7-11-6-4-5-8-15-11/h4-6,8,17H,7,9-10H2,1-3H3.
What are the key properties of 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione?
4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione has a molecular weight of 296.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-hydroxy-3-(2-pyridin-2-ylethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 571499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).