4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione

C10H13N3O2S — CID 106045753

IUPAC4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
SMILESCc1nc(CCN2CC(=O)NC(=O)C2)cs1
InChIInChI=1S/C10H13N3O2S/c1-7-11-8(6-16-7)2-3-13-4-9(14)12-10(15)5-13/h6H,2-5H2,1H3,(H,12,14,15)
InChIKeyPFUPVIZHPOTDJW-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.05
Rot. Bonds3

About 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione

4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione (PubChem CID 106045753) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
PubChem CID106045753
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
SMILESCc1nc(CCN2CC(=O)NC(=O)C2)cs1
InChIInChI=1S/C10H13N3O2S/c1-7-11-8(6-16-7)2-3-13-4-9(14)12-10(15)5-13/h6H,2-5H2,1H3,(H,12,14,15)
InChIKeyPFUPVIZHPOTDJW-UHFFFAOYSA-N
XLogP-0.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045871
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045774
4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
CID 100903513
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106045858
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
4-[2-(1,4-diazaspiro[5.5]undecan-4-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043482
4-[2-(6,10-diazaspiro[4.6]undecan-10-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043606
2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
CID 91833897
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 106043488
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione (CID 106045753) is 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione is Cc1nc(CCN2CC(=O)NC(=O)C2)cs1.
What is the InChIKey of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione?
The InChIKey is PFUPVIZHPOTDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-11-8(6-16-7)2-3-13-4-9(14)12-10(15)5-13/h6H,2-5H2,1H3,(H,12,14,15).
What are the key properties of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione?
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione has a molecular weight of 239.30 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 106045753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).