6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole

C15H12N4S2 — CID 86681119

IUPAC6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole
SMILESCSc1nc2ccc(Cc3cnc4cccnn34)cc2s1
InChIInChI=1S/C15H12N4S2/c1-20-15-18-12-5-4-10(8-13(12)21-15)7-11-9-16-14-3-2-6-17-19(11)14/h2-6,8-9H,7H2,1H3
InChIKeyXQYPDJUFJDSCLW-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.65
Rot. Bonds3

About 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole

6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole (PubChem CID 86681119) has the molecular formula C15H12N4S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole
PubChem CID86681119
Molecular FormulaC15H12N4S2
Molecular Weight312.42 g/mol
Exact Mass312.05
IUPAC Name6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole
SMILESCSc1nc2ccc(Cc3cnc4cccnn34)cc2s1
InChIInChI=1S/C15H12N4S2/c1-20-15-18-12-5-4-10(8-13(12)21-15)7-11-9-16-14-3-2-6-17-19(11)14/h2-6,8-9H,7H2,1H3
InChIKeyXQYPDJUFJDSCLW-UHFFFAOYSA-N
XLogP3.65
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole?
The IUPAC name of 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole (CID 86681119) is 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole.
What is the SMILES notation for 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole?
The canonical SMILES for 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole is CSc1nc2ccc(Cc3cnc4cccnn34)cc2s1.
What is the InChIKey of 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole?
The InChIKey is XQYPDJUFJDSCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S2/c1-20-15-18-12-5-4-10(8-13(12)21-15)7-11-9-16-14-3-2-6-17-19(11)14/h2-6,8-9H,7H2,1H3.
What are the key properties of 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole?
6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole has a molecular weight of 312.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole is sourced from PubChem (CID 86681119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).