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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Related Compounds

[3-(2-Furanyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone
CID 2981331
2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436763
N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1101933
2-Furan-2-yl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125423
4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-2-benzo[b]thiophen-3-yl-but-3-yn-2-ol
CID 11281058
N-(2-Furylmethyl)-N-{3-[(4-methylphenyl)sulfonyl]thieno[2,3-E][1,2,3]triazolo[1,5-A]pyrimidin-5-YL}amine
CID 20901125
N-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-acetamide
CID 44216145
N-{3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-2-furamide
CID 44390169
2-Furan-2-yl-6-(3-methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403110
2-Furan-2-yl-6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403113
6-(3-Amino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403138
6-(3-Dimethylamino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403148

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).