methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate

C9H11N3O3S — CID 80572075

IUPACmethyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCNC(=O)C2)s1
InChIInChI=1S/C9H11N3O3S/c1-15-8(14)6-4-11-9(16-6)12-3-2-10-7(13)5-12/h4H,2-3,5H2,1H3,(H,10,13)
InChIKeyWHDPYTZJOBPAIU-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.13
Rot. Bonds2

About methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate

methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80572075) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID80572075
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Namemethyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCNC(=O)C2)s1
InChIInChI=1S/C9H11N3O3S/c1-15-8(14)6-4-11-9(16-6)12-3-2-10-7(13)5-12/h4H,2-3,5H2,1H3,(H,10,13)
InChIKeyWHDPYTZJOBPAIU-UHFFFAOYSA-N
XLogP-0.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate (CID 80572075) is methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCNC(=O)C2)s1.
What is the InChIKey of methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is WHDPYTZJOBPAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-15-8(14)6-4-11-9(16-6)12-3-2-10-7(13)5-12/h4H,2-3,5H2,1H3,(H,10,13).
What are the key properties of methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 241.27 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).