N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide

C19H19N7O2S — CID 73335867

IUPACN-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide
SMILESCCNc1cc(C(=O)Nc2cc(Oc3ccc4nc(N)cn4n3)ccc2C)ns1
InChIInChI=1S/C19H19N7O2S/c1-3-21-18-9-14(25-29-18)19(27)22-13-8-12(5-4-11(13)2)28-17-7-6-16-23-15(20)10-26(16)24-17/h4-10,21H,3,20H2,1-2H3,(H,22,27)
InChIKeyGRVPBXDGVAVLHM-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.55
Rot. Bonds6

About N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide

N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide (PubChem CID 73335867) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide
PubChem CID73335867
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC NameN-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide
SMILESCCNc1cc(C(=O)Nc2cc(Oc3ccc4nc(N)cn4n3)ccc2C)ns1
InChIInChI=1S/C19H19N7O2S/c1-3-21-18-9-14(25-29-18)19(27)22-13-8-12(5-4-11(13)2)28-17-7-6-16-23-15(20)10-26(16)24-17/h4-10,21H,3,20H2,1-2H3,(H,22,27)
InChIKeyGRVPBXDGVAVLHM-UHFFFAOYSA-N
XLogP3.55
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide (CID 73335867) is N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide is CCNc1cc(C(=O)Nc2cc(Oc3ccc4nc(N)cn4n3)ccc2C)ns1.
What is the InChIKey of N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide?
The InChIKey is GRVPBXDGVAVLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-3-21-18-9-14(25-29-18)19(27)22-13-8-12(5-4-11(13)2)28-17-7-6-16-23-15(20)10-26(16)24-17/h4-10,21H,3,20H2,1-2H3,(H,22,27).
What are the key properties of N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide?
N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 73335867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).