1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione

C10H12N2O2S — CID 130881330

IUPAC1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione
SMILESCc1ncsc1CCN1CC(=O)CC1=O
InChIInChI=1S/C10H12N2O2S/c1-7-9(15-6-11-7)2-3-12-5-8(13)4-10(12)14/h6H,2-5H2,1H3
InChIKeyLYHCGXXPNAPVGF-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.80
Rot. Bonds3

About 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione (PubChem CID 130881330) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione
PubChem CID130881330
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione
SMILESCc1ncsc1CCN1CC(=O)CC1=O
InChIInChI=1S/C10H12N2O2S/c1-7-9(15-6-11-7)2-3-12-5-8(13)4-10(12)14/h6H,2-5H2,1H3
InChIKeyLYHCGXXPNAPVGF-UHFFFAOYSA-N
XLogP0.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one
CID 168662744
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192523
S-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705649
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
3-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazin-2-one
CID 114561487
8-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78962635
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
5-bromo-6-chloro-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidin-4-one
CID 114583715
CID 66818170
CID 66818170
4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
CID 62070844
2-(2-methoxyethyl)-8-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72884877

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione (CID 130881330) is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione is Cc1ncsc1CCN1CC(=O)CC1=O.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione?
The InChIKey is LYHCGXXPNAPVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7-9(15-6-11-7)2-3-12-5-8(13)4-10(12)14/h6H,2-5H2,1H3.
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione?
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione has a molecular weight of 224.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 130881330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).