2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide

C22H23N5OS2 — CID 43068236

IUPAC2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCc1cc(C)c2c(-c3ccccc3)nc(SCc3csc(CC(=O)N(C)C)n3)n2n1
InChIInChI=1S/C22H23N5OS2/c1-14-10-15(2)25-27-21(14)20(16-8-6-5-7-9-16)24-22(27)30-13-17-12-29-18(23-17)11-19(28)26(3)4/h5-10,12H,11,13H2,1-4H3
InChIKeyMBLINXZWMXUHGY-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.39
Rot. Bonds6

About 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide

2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (PubChem CID 43068236) has the molecular formula C22H23N5OS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
PubChem CID43068236
Molecular FormulaC22H23N5OS2
Molecular Weight437.59 g/mol
Exact Mass437.13
IUPAC Name2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
SMILESCc1cc(C)c2c(-c3ccccc3)nc(SCc3csc(CC(=O)N(C)C)n3)n2n1
InChIInChI=1S/C22H23N5OS2/c1-14-10-15(2)25-27-21(14)20(16-8-6-5-7-9-16)24-22(27)30-13-17-12-29-18(23-17)11-19(28)26(3)4/h5-10,12H,11,13H2,1-4H3
InChIKeyMBLINXZWMXUHGY-UHFFFAOYSA-N
XLogP4.39
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide (CID 43068236) is 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is Cc1cc(C)c2c(-c3ccccc3)nc(SCc3csc(CC(=O)N(C)C)n3)n2n1.
What is the InChIKey of 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is MBLINXZWMXUHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS2/c1-14-10-15(2)25-27-21(14)20(16-8-6-5-7-9-16)24-22(27)30-13-17-12-29-18(23-17)11-19(28)26(3)4/h5-10,12H,11,13H2,1-4H3.
What are the key properties of 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide?
2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 437.59 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43068236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).