6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid

C16H15N5O2S — CID 66869978

IUPAC6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nn1
InChIInChI=1S/C16H15N5O2S/c22-15(23)12-5-6-14(19-18-12)20-7-9-21(10-8-20)16-17-11-3-1-2-4-13(11)24-16/h1-6H,7-10H2,(H,22,23)
InChIKeyIGKXWDPWZLEBJE-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.11
Rot. Bonds3

About 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid

6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 66869978) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid
PubChem CID66869978
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nn1
InChIInChI=1S/C16H15N5O2S/c22-15(23)12-5-6-14(19-18-12)20-7-9-21(10-8-20)16-17-11-3-1-2-4-13(11)24-16/h1-6H,7-10H2,(H,22,23)
InChIKeyIGKXWDPWZLEBJE-UHFFFAOYSA-N
XLogP2.11
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid (CID 66869978) is 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nn1.
What is the InChIKey of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is IGKXWDPWZLEBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-15(23)12-5-6-14(19-18-12)20-7-9-21(10-8-20)16-17-11-3-1-2-4-13(11)24-16/h1-6H,7-10H2,(H,22,23).
What are the key properties of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid?
6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 341.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 66869978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).