3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid

C10H13N3O3S — CID 117215219

IUPAC3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(C(=O)O)sn2)CC1
InChIInChI=1S/C10H13N3O3S/c1-12-2-4-13(5-3-12)9(14)7-6-8(10(15)16)17-11-7/h6H,2-5H2,1H3,(H,15,16)
InChIKeyWLKMHPYMAKFWLF-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.23
Rot. Bonds2

About 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid

3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215219) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215219
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(C(=O)O)sn2)CC1
InChIInChI=1S/C10H13N3O3S/c1-12-2-4-13(5-3-12)9(14)7-6-8(10(15)16)17-11-7/h6H,2-5H2,1H3,(H,15,16)
InChIKeyWLKMHPYMAKFWLF-UHFFFAOYSA-N
XLogP0.23
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (CID 117215219) is 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is CN1CCN(C(=O)c2cc(C(=O)O)sn2)CC1.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is WLKMHPYMAKFWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-12-2-4-13(5-3-12)9(14)7-6-8(10(15)16)17-11-7/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).