[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone

C19H18N6OS — CID 155799655

IUPAC[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
SMILESCc1cn2nc(C(=O)N3CCN(c4nsc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C19H18N6OS/c1-13-12-25-17(20-13)7-6-15(21-25)19(26)24-10-8-23(9-11-24)18-14-4-2-3-5-16(14)27-22-18/h2-7,12H,8-11H2,1H3
InChIKeyYEIAHRMGZAGMKF-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.61
Rot. Bonds2

About [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone (PubChem CID 155799655) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone.

Molecular Properties

Compound Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
PubChem CID155799655
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
SMILESCc1cn2nc(C(=O)N3CCN(c4nsc5ccccc45)CC3)ccc2n1
InChIInChI=1S/C19H18N6OS/c1-13-12-25-17(20-13)7-6-15(21-25)19(26)24-10-8-23(9-11-24)18-14-4-2-3-5-16(14)27-22-18/h2-7,12H,8-11H2,1H3
InChIKeyYEIAHRMGZAGMKF-UHFFFAOYSA-N
XLogP2.61
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone?
The IUPAC name of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone (CID 155799655) is [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone.
What is the SMILES notation for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone?
The canonical SMILES for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone is Cc1cn2nc(C(=O)N3CCN(c4nsc5ccccc45)CC3)ccc2n1.
What is the InChIKey of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone?
The InChIKey is YEIAHRMGZAGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-13-12-25-17(20-13)7-6-15(21-25)19(26)24-10-8-23(9-11-24)18-14-4-2-3-5-16(14)27-22-18/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone?
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone has a molecular weight of 378.46 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone is sourced from PubChem (CID 155799655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).