6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

C21H24N6OS — CID 11950710

IUPAC6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nn1
InChIInChI=1S/C21H24N6OS/c28-20(22-10-9-15-5-6-15)17-7-8-19(25-24-17)26-11-13-27(14-12-26)21-23-16-3-1-2-4-18(16)29-21/h1-4,7-8,15H,5-6,9-14H2,(H,22,28)
InChIKeyVGDOHOHNDIJOBN-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.94
Rot. Bonds6

About 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (PubChem CID 11950710) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
PubChem CID11950710
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nn1
InChIInChI=1S/C21H24N6OS/c28-20(22-10-9-15-5-6-15)17-7-8-19(25-24-17)26-11-13-27(14-12-26)21-23-16-3-1-2-4-18(16)29-21/h1-4,7-8,15H,5-6,9-14H2,(H,22,28)
InChIKeyVGDOHOHNDIJOBN-UHFFFAOYSA-N
XLogP2.94
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide
CID 157465812
N-(2-cyclopropylethyl)-6-[4-[3-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11178786
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109178
tert-butyl N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]carbamate
CID 71632518
6-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313359
N-(2-cyclopropylethyl)-6-[4-[1-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyridazine-3-carboxamide;tetrakis(propan-2-olate);titanium(4+);hydrochloride
CID 159860161
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide
CID 121109192
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 121109173
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,6-dimethoxybenzamide
CID 121109264
tert-butyl N-[[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]methyl]carbamate
CID 95046880

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (CID 11950710) is 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is O=C(NCCC1CC1)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nn1.
What is the InChIKey of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The InChIKey is VGDOHOHNDIJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c28-20(22-10-9-15-5-6-15)17-7-8-19(25-24-17)26-11-13-27(14-12-26)21-23-16-3-1-2-4-18(16)29-21/h1-4,7-8,15H,5-6,9-14H2,(H,22,28).
What are the key properties of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 2.94, 6 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]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 11950710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).