[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone

C16H15N5OS — CID 86285492

IUPAC[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H15N5OS/c22-15(12-5-6-17-18-11-12)20-7-9-21(10-8-20)16-19-13-3-1-2-4-14(13)23-16/h1-6,11H,7-10H2
InChIKeyOLFQXABGIJSODZ-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.05
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 86285492) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone
PubChem CID86285492
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H15N5OS/c22-15(12-5-6-17-18-11-12)20-7-9-21(10-8-20)16-19-13-3-1-2-4-14(13)23-16/h1-6,11H,7-10H2
InChIKeyOLFQXABGIJSODZ-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 121082961
5-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]pyridine-2-carbonitrile
CID 70707884
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 70777309
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 121082962
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70781900
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,1,3-benzoxadiazol-5-yl)methanone
CID 70706577
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377
2-amino-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 24760998
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 72849189
[4-(azepan-1-ylsulfonyl)phenyl]-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 23741645
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 70770931
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone (CID 86285492) is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is OLFQXABGIJSODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-15(12-5-6-17-18-11-12)20-7-9-21(10-8-20)16-19-13-3-1-2-4-14(13)23-16/h1-6,11H,7-10H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone?
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 325.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 86285492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).