2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one

C15H16N4OS — CID 103220168

IUPAC2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2nc3ccccc3s2)c(=O)c1
InChIInChI=1S/C15H16N4OS/c1-2-7-16-11-8-15(20)19(17-9-11)10-14-18-12-5-3-4-6-13(12)21-14/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyMIKNKVKOMXDVSE-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.72
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one

2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one (PubChem CID 103220168) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one
PubChem CID103220168
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(Cc2nc3ccccc3s2)c(=O)c1
InChIInChI=1S/C15H16N4OS/c1-2-7-16-11-8-15(20)19(17-9-11)10-14-18-12-5-3-4-6-13(12)21-14/h3-6,8-9,16H,2,7,10H2,1H3
InChIKeyMIKNKVKOMXDVSE-UHFFFAOYSA-N
XLogP2.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-ylmethyl)-6-phenylpyridazin-3-one
CID 47060976
1-[2-(1,3-benzothiazol-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine
CID 104632145
methyl 1-(1,3-benzothiazol-2-ylmethyl)-5-ethyltriazole-4-carboxylate
CID 103105747
5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
CID 103221268
N-[[1-(1,3-benzothiazol-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66193350
2-[(5-tert-butyltetrazol-1-yl)methyl]-1,3-benzothiazole
CID 47770852
5-(2-aminoethylamino)-2-[(2-chlorophenyl)methyl]pyridazin-3-one
CID 103220968
1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 27277189
3-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-propan-2-ylpyrimidin-4-one
CID 114585062
1-(1,3-benzothiazol-2-ylmethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 104632098
3-(1,3-benzothiazol-2-yl)-2,2-dimethylpropanal
CID 130698450
5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one
CID 103218481

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one (CID 103220168) is 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one is CCCNc1cnn(Cc2nc3ccccc3s2)c(=O)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one?
The InChIKey is MIKNKVKOMXDVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-7-16-11-8-15(20)19(17-9-11)10-14-18-12-5-3-4-6-13(12)21-14/h3-6,8-9,16H,2,7,10H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one?
2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one has a molecular weight of 300.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethyl)-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 103220168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).