4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid

C10H13N3O3S — CID 80570135

IUPAC4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCNC(=O)C2C)sc1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-7(9(15)16)17-10(12-5)13-4-3-11-8(14)6(13)2/h6H,3-4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyFXUXAZRJVDNIPL-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.47
Rot. Bonds2

About 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 80570135) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID80570135
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCNC(=O)C2C)sc1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-7(9(15)16)17-10(12-5)13-4-3-11-8(14)6(13)2/h6H,3-4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyFXUXAZRJVDNIPL-UHFFFAOYSA-N
XLogP0.47
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 80570135) is 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCNC(=O)C2C)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is FXUXAZRJVDNIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-5-7(9(15)16)17-10(12-5)13-4-3-11-8(14)6(13)2/h6H,3-4H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).