3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C18H19ClN4S — CID 123445436

IUPAC3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1
InChIInChI=1S/C18H19ClN4S/c19-15-3-1-2-14(10-15)16-12-21-18-5-4-17(22-23(16)18)20-11-13-6-8-24-9-7-13/h1-5,10,12-13H,6-9,11H2,(H,20,22)
InChIKeyUVDGPKCLUOESCP-UHFFFAOYSA-N
MW358.90 g/mol
LogP4.60
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 123445436) has the molecular formula C18H19ClN4S and a molecular weight of 358.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID123445436
Molecular FormulaC18H19ClN4S
Molecular Weight358.90 g/mol
Exact Mass358.10
IUPAC Name3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1
InChIInChI=1S/C18H19ClN4S/c19-15-3-1-2-14(10-15)16-12-21-18-5-4-17(22-23(16)18)20-11-13-6-8-24-9-7-13/h1-5,10,12-13H,6-9,11H2,(H,20,22)
InChIKeyUVDGPKCLUOESCP-UHFFFAOYSA-N
XLogP4.60
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.90
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 44580273
N-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 135961528
N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 25025645
tert-butyl 3-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]pyrrolidine-1-carboxylate
CID 58857733
3-(3-chlorophenyl)-N-(thian-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane
CID 144515394
N-(cyclopropylmethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126473193
N-[(3-chlorophenyl)methyl]-4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 53321634
N-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]pyrazine-2-carboxamide
CID 71555560
2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;hydrochloride
CID 137331860
tert-butyl 2-[[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]-6-azaspiro[3.4]octane-6-carboxylate
CID 163304089
3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857576
3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 126471896

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 123445436) is 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Clc1cccc(-c2cnc3ccc(NCC4CCSCC4)nn23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is UVDGPKCLUOESCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4S/c19-15-3-1-2-14(10-15)16-12-21-18-5-4-17(22-23(16)18)20-11-13-6-8-24-9-7-13/h1-5,10,12-13H,6-9,11H2,(H,20,22).
What are the key properties of 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 358.90 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(thian-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 123445436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).