[(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

C18H20N2O2S — CID 54381755

IUPAC[(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C([C@@H]1CCCN1C(=O)C1=Cc2ccccc2C1)N1CCSC1
InChIInChI=1S/C18H20N2O2S/c21-17(15-10-13-4-1-2-5-14(13)11-15)20-7-3-6-16(20)18(22)19-8-9-23-12-19/h1-2,4-5,10,16H,3,6-9,11-12H2/t16-/m0/s1
InChIKeyVAKDXWPHOAYTLJ-INIZCTEOSA-N
MW328.44 g/mol
LogP2.15
Rot. Bonds2

About [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

[(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 54381755) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID54381755
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name[(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C([C@@H]1CCCN1C(=O)C1=Cc2ccccc2C1)N1CCSC1
InChIInChI=1S/C18H20N2O2S/c21-17(15-10-13-4-1-2-5-14(13)11-15)20-7-3-6-16(20)18(22)19-8-9-23-12-19/h1-2,4-5,10,16H,3,6-9,11-12H2/t16-/m0/s1
InChIKeyVAKDXWPHOAYTLJ-INIZCTEOSA-N
XLogP2.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R)-4-(diethoxymethyl)-1,3-thiazolidin-3-yl]-[(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 22853079
2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 59940867
(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 95769870
[1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 123245289
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
[(2S)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 95765348
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
[(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
CID 124608516
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
[(2S)-1-(2-methylbenzoyl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110285877
(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
CID 119380930
cyclopentyl(1,3-thiazolidin-3-yl)methanone
CID 122331918

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (CID 54381755) is [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is O=C([C@@H]1CCCN1C(=O)C1=Cc2ccccc2C1)N1CCSC1.
What is the InChIKey of [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is VAKDXWPHOAYTLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-17(15-10-13-4-1-2-5-14(13)11-15)20-7-3-6-16(20)18(22)19-8-9-23-12-19/h1-2,4-5,10,16H,3,6-9,11-12H2/t16-/m0/s1.
What are the key properties of [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
[(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 328.44 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 54381755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).