8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine

C21H28N4OS — CID 10271375

IUPAC8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine
SMILESCCCN(CCC)c1c(SC)nc2c(-c3ccc(OC)cc3C)ccnn12
InChIInChI=1S/C21H28N4OS/c1-6-12-24(13-7-2)21-20(27-5)23-19-18(10-11-22-25(19)21)17-9-8-16(26-4)14-15(17)3/h8-11,14H,6-7,12-13H2,1-5H3
InChIKeyWCSHAVJNOAFZQQ-UHFFFAOYSA-N
MW384.55 g/mol
LogP5.06
Rot. Bonds8

About 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine

8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine (PubChem CID 10271375) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound Name8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine
PubChem CID10271375
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine
SMILESCCCN(CCC)c1c(SC)nc2c(-c3ccc(OC)cc3C)ccnn12
InChIInChI=1S/C21H28N4OS/c1-6-12-24(13-7-2)21-20(27-5)23-19-18(10-11-22-25(19)21)17-9-8-16(26-4)14-15(17)3/h8-11,14H,6-7,12-13H2,1-5H3
InChIKeyWCSHAVJNOAFZQQ-UHFFFAOYSA-N
XLogP5.06
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine (CID 10271375) is 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine is CCCN(CCC)c1c(SC)nc2c(-c3ccc(OC)cc3C)ccnn12.
What is the InChIKey of 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine?
The InChIKey is WCSHAVJNOAFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-6-12-24(13-7-2)21-20(27-5)23-19-18(10-11-22-25(19)21)17-9-8-16(26-4)14-15(17)3/h8-11,14H,6-7,12-13H2,1-5H3.
What are the key properties of 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine?
8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine has a molecular weight of 384.55 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-2-methylphenyl)-2-methylsulfanyl-N,N-dipropylimidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 10271375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).