2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C14H15NO2S2 — CID 53270194

IUPAC2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2cc3ccccc3s2)NC1C(=O)O
InChIInChI=1S/C14H15NO2S2/c1-14(2)11(13(16)17)15-12(19-14)10-7-8-5-3-4-6-9(8)18-10/h3-7,11-12,15H,1-2H3,(H,16,17)
InChIKeyRRZRXGOELHIDDG-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.47
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270194) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270194
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2cc3ccccc3s2)NC1C(=O)O
InChIInChI=1S/C14H15NO2S2/c1-14(2)11(13(16)17)15-12(19-14)10-7-8-5-3-4-6-9(8)18-10/h3-7,11-12,15H,1-2H3,(H,16,17)
InChIKeyRRZRXGOELHIDDG-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.47
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
2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53270113
5-(1-benzothiophen-2-yl)-1,1-dioxo-1,4-thiazinane-3-carboxylic acid
CID 114911167
5-(1-benzothiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid
CID 114911166
(2R,4S)-5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 95970066
bis(1-benzothiophen-2-yl)methanone
CID 5330534
2-(2,2-difluorocyclopropyl)-1-benzothiophene
CID 178074860
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
3-(1-benzothiophen-2-yl)oxetane
CID 119082125
1-(1-benzothiophen-2-yl)-2-bromopropan-1-one
CID 142706834
3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine
CID 114911379
(Z)-3-(1-benzothiophen-2-yl)but-2-enoic acid
CID 114910198

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 53270194) is 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(c2cc3ccccc3s2)NC1C(=O)O.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RRZRXGOELHIDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-14(2)11(13(16)17)15-12(19-14)10-7-8-5-3-4-6-9(8)18-10/h3-7,11-12,15H,1-2H3,(H,16,17).
What are the key properties of 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 293.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).