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

C9H13N3O2S — CID 82391355

IUPAC4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid
SMILESCN1CCN(c2cnsc2C(=O)O)CC1
InChIInChI=1S/C9H13N3O2S/c1-11-2-4-12(5-3-11)7-6-10-15-8(7)9(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyRWYRZJYXNFKNIE-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.59
Rot. Bonds2

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

4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid (PubChem CID 82391355) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid
PubChem CID82391355
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid
SMILESCN1CCN(c2cnsc2C(=O)O)CC1
InChIInChI=1S/C9H13N3O2S/c1-11-2-4-12(5-3-11)7-6-10-15-8(7)9(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyRWYRZJYXNFKNIE-UHFFFAOYSA-N
XLogP0.59
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid (CID 82391355) is 4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid is CN1CCN(c2cnsc2C(=O)O)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is RWYRZJYXNFKNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-11-2-4-12(5-3-11)7-6-10-15-8(7)9(13)14/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid?
4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 227.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 82391355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).