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

C9H11N3O3S — CID 117215217

IUPAC3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCNCC2)ns1
InChIInChI=1S/C9H11N3O3S/c13-8(12-3-1-10-2-4-12)6-5-7(9(14)15)16-11-6/h5,10H,1-4H2,(H,14,15)
InChIKeyCIRAXFLOANNIIT-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.11
Rot. Bonds2

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

3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215217) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215217
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCNCC2)ns1
InChIInChI=1S/C9H11N3O3S/c13-8(12-3-1-10-2-4-12)6-5-7(9(14)15)16-11-6/h5,10H,1-4H2,(H,14,15)
InChIKeyCIRAXFLOANNIIT-UHFFFAOYSA-N
XLogP-0.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (CID 117215217) is 3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is O=C(O)c1cc(C(=O)N2CCNCC2)ns1.
What is the InChIKey of 3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is CIRAXFLOANNIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(12-3-1-10-2-4-12)6-5-7(9(14)15)16-11-6/h5,10H,1-4H2,(H,14,15).
What are the key properties of 3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).