(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone

C13H20N2O3S — CID 71892220

IUPAC(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCS2(=O)=O)c(C)n1C(C)C
InChIInChI=1S/C13H20N2O3S/c1-9(2)15-10(3)8-12(11(15)4)13(16)14-6-5-7-19(14,17)18/h8-9H,5-7H2,1-4H3
InChIKeyOQOHEEUEXGZZES-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.86
Rot. Bonds2

About (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone (PubChem CID 71892220) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone
PubChem CID71892220
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCS2(=O)=O)c(C)n1C(C)C
InChIInChI=1S/C13H20N2O3S/c1-9(2)15-10(3)8-12(11(15)4)13(16)14-6-5-7-19(14,17)18/h8-9H,5-7H2,1-4H3
InChIKeyOQOHEEUEXGZZES-UHFFFAOYSA-N
XLogP1.86
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654057
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110698941
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95301379
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95301378
(2S)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperidine-2-carboxylic acid
CID 129414629
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804556
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119489255
(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124682210
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577534
(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124682211
(1,1-dioxo-1,2-thiazolidin-2-yl)-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 71982505
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649594

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
The IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone (CID 71892220) is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone is Cc1cc(C(=O)N2CCCS2(=O)=O)c(C)n1C(C)C.
What is the InChIKey of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
The InChIKey is OQOHEEUEXGZZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)15-10(3)8-12(11(15)4)13(16)14-6-5-7-19(14,17)18/h8-9H,5-7H2,1-4H3.
What are the key properties of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone has a molecular weight of 284.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(1,1-dioxo-1,2-thiazolidin-2-yl)methanone is sourced from PubChem (CID 71892220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).