5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine

C11H7N5S — CID 123390487

IUPAC5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine
SMILESNc1ncc(C#Cc2cnc3cccnn23)s1
InChIInChI=1S/C11H7N5S/c12-11-14-7-9(17-11)4-3-8-6-13-10-2-1-5-15-16(8)10/h1-2,5-7H,(H2,12,14)
InChIKeyWPGHSDRLUFAWIK-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.17
Rot. Bonds

About 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine

5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine (PubChem CID 123390487) has the molecular formula C11H7N5S and a molecular weight of 241.28 g/mol. Its IUPAC name is 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine
PubChem CID123390487
Molecular FormulaC11H7N5S
Molecular Weight241.28 g/mol
Exact Mass241.04
IUPAC Name5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine
SMILESNc1ncc(C#Cc2cnc3cccnn23)s1
InChIInChI=1S/C11H7N5S/c12-11-14-7-9(17-11)4-3-8-6-13-10-2-1-5-15-16(8)10/h1-2,5-7H,(H2,12,14)
InChIKeyWPGHSDRLUFAWIK-UHFFFAOYSA-N
XLogP1.17
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-yl]-N-phenylcarbamate
CID 144889006
7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole
CID 157216730
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl chloride;hydrochloride
CID 139270206
6-aminopyrazolo[1,5-a]pyrimidine-7-carbonitrile
CID 594341
1-[4-[(dimethylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-2-pyridinyl]urea
CID 123998810
7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2807616
3-nitroimidazo[1,2-b]pyridazine
CID 16740706
2-methylimidazo[1,2-b]pyridazin-3-amine;hydrochloride
CID 122129766
5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-methyl-5-(triazol-1-yl)phenyl]pyridine-3-carboxamide
CID 165051943
3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 176715171
3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine
CID 167513696
3-imidazo[1,2-b]pyridazin-3-yl-N,N-dimethylpyridin-2-amine
CID 155910222

Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine (CID 123390487) is 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine is Nc1ncc(C#Cc2cnc3cccnn23)s1.
What is the InChIKey of 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine?
The InChIKey is WPGHSDRLUFAWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5S/c12-11-14-7-9(17-11)4-3-8-6-13-10-2-1-5-15-16(8)10/h1-2,5-7H,(H2,12,14).
What are the key properties of 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine?
5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine has a molecular weight of 241.28 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 123390487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).