N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

C16H14N4OS — CID 126475834

IUPACN-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1csc(-c2cnc3ccc(NCc4ccco4)nn23)c1
InChIInChI=1S/C16H14N4OS/c1-11-7-14(22-10-11)13-9-18-16-5-4-15(19-20(13)16)17-8-12-3-2-6-21-12/h2-7,9-10H,8H2,1H3,(H,17,19)
InChIKeyAKCMTPUUCRUQOR-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.97
Rot. Bonds4

About N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126475834) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126475834
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1csc(-c2cnc3ccc(NCc4ccco4)nn23)c1
InChIInChI=1S/C16H14N4OS/c1-11-7-14(22-10-11)13-9-18-16-5-4-15(19-20(13)16)17-8-12-3-2-6-21-12/h2-7,9-10H,8H2,1H3,(H,17,19)
InChIKeyAKCMTPUUCRUQOR-UHFFFAOYSA-N
XLogP3.97
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 126475834) is N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is Cc1csc(-c2cnc3ccc(NCc4ccco4)nn23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AKCMTPUUCRUQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-11-7-14(22-10-11)13-9-18-16-5-4-15(19-20(13)16)17-8-12-3-2-6-21-12/h2-7,9-10H,8H2,1H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 310.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126475834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).