(5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

C18H24N2O2S — CID 126142161

IUPAC(5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1C1CCCC1
InChIInChI=1S/C18H24N2O2S/c1-11(2)19-17(21)16(23-18(19)22)10-14-9-12(3)20(13(14)4)15-7-5-6-8-15/h9-11,15H,5-8H2,1-4H3/b16-10-
InChIKeySQBILDKNGCGAFX-YBEGLDIGSA-N
MW332.47 g/mol
LogP4.66
Rot. Bonds3

About (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

(5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 126142161) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
PubChem CID126142161
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name(5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
SMILESCc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1C1CCCC1
InChIInChI=1S/C18H24N2O2S/c1-11(2)19-17(21)16(23-18(19)22)10-14-9-12(3)20(13(14)4)15-7-5-6-8-15/h9-11,15H,5-8H2,1-4H3/b16-10-
InChIKeySQBILDKNGCGAFX-YBEGLDIGSA-N
XLogP4.66
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 126149304
(5E)-5-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 126028446
(5E)-5-[[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 126028694
2-amino-5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-thiazol-4-one
CID 3471496
(5Z)-3-[(4-bromophenyl)methyl]-5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126134709
methyl 4-[3-[(E)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 126025042
5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2263663
3-cyclohexyl-5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 71901362
(5E)-3-cyclohexyl-5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 75365063
ethyl 3-[3-[(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 3835548
(5E)-5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 91690912
(5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 126138577

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 126142161) is (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1C1CCCC1.
What is the InChIKey of (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is SQBILDKNGCGAFX-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-11(2)19-17(21)16(23-18(19)22)10-14-9-12(3)20(13(14)4)15-7-5-6-8-15/h9-11,15H,5-8H2,1-4H3/b16-10-.
What are the key properties of (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 332.47 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126142161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).