5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride

C10H4Cl2N4OS — CID 58046450

IUPAC5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride
SMILESO=C(Cl)c1nc(-c2cnc3cccnn23)c(Cl)s1
InChIInChI=1S/C10H4Cl2N4OS/c11-8(17)10-15-7(9(12)18-10)5-4-13-6-2-1-3-14-16(5)6/h1-4H
InChIKeyXLWAJMSUGVDWJW-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.89
Rot. Bonds2

About 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride

5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride (PubChem CID 58046450) has the molecular formula C10H4Cl2N4OS and a molecular weight of 299.14 g/mol. Its IUPAC name is 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride
PubChem CID58046450
Molecular FormulaC10H4Cl2N4OS
Molecular Weight299.14 g/mol
Exact Mass297.95
IUPAC Name5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride
SMILESO=C(Cl)c1nc(-c2cnc3cccnn23)c(Cl)s1
InChIInChI=1S/C10H4Cl2N4OS/c11-8(17)10-15-7(9(12)18-10)5-4-13-6-2-1-3-14-16(5)6/h1-4H
InChIKeyXLWAJMSUGVDWJW-UHFFFAOYSA-N
XLogP2.89
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride?
The IUPAC name of 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride (CID 58046450) is 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride.
What is the SMILES notation for 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride?
The canonical SMILES for 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride is O=C(Cl)c1nc(-c2cnc3cccnn23)c(Cl)s1.
What is the InChIKey of 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride?
The InChIKey is XLWAJMSUGVDWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N4OS/c11-8(17)10-15-7(9(12)18-10)5-4-13-6-2-1-3-14-16(5)6/h1-4H.
What are the key properties of 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride?
5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride has a molecular weight of 299.14 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazole-2-carbonyl chloride is sourced from PubChem (CID 58046450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).