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

C11H17N3O2S — CID 38999860

IUPAC2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCN(c2nc(C)c(C(=O)O)s2)CC1
InChIInChI=1S/C11H17N3O2S/c1-3-13-4-6-14(7-5-13)11-12-8(2)9(17-11)10(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyPYSHYHDHKSPVMS-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.29
Rot. Bonds3

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

2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 38999860) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID38999860
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCN(c2nc(C)c(C(=O)O)s2)CC1
InChIInChI=1S/C11H17N3O2S/c1-3-13-4-6-14(7-5-13)11-12-8(2)9(17-11)10(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyPYSHYHDHKSPVMS-UHFFFAOYSA-N
XLogP1.29
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 38999860) is 2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is CCN1CCN(c2nc(C)c(C(=O)O)s2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is PYSHYHDHKSPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-13-4-6-14(7-5-13)11-12-8(2)9(17-11)10(15)16/h3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 38999860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).