2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C18H17NO2S2 — CID 53270113

IUPAC2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2cccc3c2sc2ccccc23)NC1C(=O)O
InChIInChI=1S/C18H17NO2S2/c1-18(2)15(17(20)21)19-16(23-18)12-8-5-7-11-10-6-3-4-9-13(10)22-14(11)12/h3-9,15-16,19H,1-2H3,(H,20,21)
InChIKeyITQTZPBPQUHZLD-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.62
Rot. Bonds2

About 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270113) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270113
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC Name2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2cccc3c2sc2ccccc23)NC1C(=O)O
InChIInChI=1S/C18H17NO2S2/c1-18(2)15(17(20)21)19-16(23-18)12-8-5-7-11-10-6-3-4-9-13(10)22-14(11)12/h3-9,15-16,19H,1-2H3,(H,20,21)
InChIKeyITQTZPBPQUHZLD-UHFFFAOYSA-N
XLogP4.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-2-(2-hydroxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 23241428
(2R,4S)-5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 95970066
(4S)-5,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11837459
(4S)-5,5-dimethyl-2-[4-(methylamino)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 164880456
4-cyclopropyldibenzothiophene
CID 54752889
dibenzothiophene-4-sulfonamide
CID 150056476
2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane
CID 144963869
2-dibenzothiophen-4-yl-4-methyl-6-propyl-1,2-dihydropyridine
CID 144995517
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
(2S,4S)-2-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 14805046
dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
CID 140776683
ethane;4-ethyldibenzothiophene
CID 123227550

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 53270113) is 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(c2cccc3c2sc2ccccc23)NC1C(=O)O.
What is the InChIKey of 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ITQTZPBPQUHZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-18(2)15(17(20)21)19-16(23-18)12-8-5-7-11-10-6-3-4-9-13(10)22-14(11)12/h3-9,15-16,19H,1-2H3,(H,20,21).
What are the key properties of 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 343.47 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).