5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine

C23H29N5OS — CID 68844353

IUPAC5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(N(C)Cc4ccco4)nc3C)c(C)nc12
InChIInChI=1S/C23H29N5OS/c1-7-17(8-2)19-12-14(3)26-28-20(15(4)24-22(19)28)21-16(5)25-23(30-21)27(6)13-18-10-9-11-29-18/h9-12,17H,7-8,13H2,1-6H3
InChIKeyVPQMNBZJBVNSSW-UHFFFAOYSA-N
MW423.59 g/mol
LogP5.91
Rot. Bonds7

About 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine

5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 68844353) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID68844353
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCC(CC)c1cc(C)nn2c(-c3sc(N(C)Cc4ccco4)nc3C)c(C)nc12
InChIInChI=1S/C23H29N5OS/c1-7-17(8-2)19-12-14(3)26-28-20(15(4)24-22(19)28)21-16(5)25-23(30-21)27(6)13-18-10-9-11-29-18/h9-12,17H,7-8,13H2,1-6H3
InChIKeyVPQMNBZJBVNSSW-UHFFFAOYSA-N
XLogP5.91
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.59
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine (CID 68844353) is 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine is CCC(CC)c1cc(C)nn2c(-c3sc(N(C)Cc4ccco4)nc3C)c(C)nc12.
What is the InChIKey of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is VPQMNBZJBVNSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-7-17(8-2)19-12-14(3)26-28-20(15(4)24-22(19)28)21-16(5)25-23(30-21)27(6)13-18-10-9-11-29-18/h9-12,17H,7-8,13H2,1-6H3.
What are the key properties of 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 423.59 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-N-(furan-2-ylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 68844353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).