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

C10H15N3O2S — CID 53211742

IUPAC4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(C)CC2)sc1C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-7-8(9(14)15)16-10(11-7)13-5-3-12(2)4-6-13/h3-6H2,1-2H3,(H,14,15)
InChIKeyHJHUBZNLMJCERE-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.90
Rot. Bonds2

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

4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 53211742) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID53211742
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(C)CC2)sc1C(=O)O
InChIInChI=1S/C10H15N3O2S/c1-7-8(9(14)15)16-10(11-7)13-5-3-12(2)4-6-13/h3-6H2,1-2H3,(H,14,15)
InChIKeyHJHUBZNLMJCERE-UHFFFAOYSA-N
XLogP0.90
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 53211742) is 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCN(C)CC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HJHUBZNLMJCERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-8(9(14)15)16-10(11-7)13-5-3-12(2)4-6-13/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 53211742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).