2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide

C18H15N5OS — CID 155799487

IUPAC2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide
SMILESCc1cn2nc(C(=O)Nc3cccc(-c4csc(C)n4)c3)ccc2n1
InChIInChI=1S/C18H15N5OS/c1-11-9-23-17(19-11)7-6-15(22-23)18(24)21-14-5-3-4-13(8-14)16-10-25-12(2)20-16/h3-10H,1-2H3,(H,21,24)
InChIKeyCKRRYXMVWQVKTM-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.72
Rot. Bonds3

About 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide

2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 155799487) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID155799487
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide
SMILESCc1cn2nc(C(=O)Nc3cccc(-c4csc(C)n4)c3)ccc2n1
InChIInChI=1S/C18H15N5OS/c1-11-9-23-17(19-11)7-6-15(22-23)18(24)21-14-5-3-4-13(8-14)16-10-25-12(2)20-16/h3-10H,1-2H3,(H,21,24)
InChIKeyCKRRYXMVWQVKTM-UHFFFAOYSA-N
XLogP3.72
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide (CID 155799487) is 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide is Cc1cn2nc(C(=O)Nc3cccc(-c4csc(C)n4)c3)ccc2n1.
What is the InChIKey of 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is CKRRYXMVWQVKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-11-9-23-17(19-11)7-6-15(22-23)18(24)21-14-5-3-4-13(8-14)16-10-25-12(2)20-16/h3-10H,1-2H3,(H,21,24).
What are the key properties of 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide?
2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 155799487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).