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

C9H11N3O3S — CID 117218825

IUPAC5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid
SMILESO=C(O)c1cnsc1C(=O)N1CCNCC1
InChIInChI=1S/C9H11N3O3S/c13-8(12-3-1-10-2-4-12)7-6(9(14)15)5-11-16-7/h5,10H,1-4H2,(H,14,15)
InChIKeyLBEYPCWPWPRLDL-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.11
Rot. Bonds2

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

5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid (PubChem CID 117218825) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid
PubChem CID117218825
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid
SMILESO=C(O)c1cnsc1C(=O)N1CCNCC1
InChIInChI=1S/C9H11N3O3S/c13-8(12-3-1-10-2-4-12)7-6(9(14)15)5-11-16-7/h5,10H,1-4H2,(H,14,15)
InChIKeyLBEYPCWPWPRLDL-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 5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid (CID 117218825) is 5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid is O=C(O)c1cnsc1C(=O)N1CCNCC1.
What is the InChIKey of 5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid?
The InChIKey is LBEYPCWPWPRLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c13-8(12-3-1-10-2-4-12)7-6(9(14)15)5-11-16-7/h5,10H,1-4H2,(H,14,15).
What are the key properties of 5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid?
5-(piperazine-1-carbonyl)-1,2-thiazole-4-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 5-(piperazine-1-carbonyl)-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 117218825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).