6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole

C36H33FN8S5 — CID 162433008

IUPAC6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc4sc(C5CCNC(C6CC(c7cc8sc(-c9cc(F)c%10nc(C)sc%10c9)nc8s7)CCN6)C5)nc4s3)cc(C)c2n1
InChIInChI=1S/C36H33FN8S5/c1-16-8-25(44-45-15-17(2)40-32(16)45)27-14-30-36(48-27)42-33(49-30)20-5-7-39-24(11-20)23-10-19(4-6-38-23)26-13-29-35(47-26)43-34(50-29)21-9-22(37)31-28(12-21)46-18(3)41-31/h8-9,12-15,19-20,23-24,38-39H,4-7,10-11H2,1-3H3
InChIKeyDPPVSBDNCZBURN-UHFFFAOYSA-N
MW757.05 g/mol
LogP9.45
Rot. Bonds5

About 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole

6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole (PubChem CID 162433008) has the molecular formula C36H33FN8S5 and a molecular weight of 757.05 g/mol. Its IUPAC name is 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole
PubChem CID162433008
Molecular FormulaC36H33FN8S5
Molecular Weight757.05 g/mol
Exact Mass756.14
IUPAC Name6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc4sc(C5CCNC(C6CC(c7cc8sc(-c9cc(F)c%10nc(C)sc%10c9)nc8s7)CCN6)C5)nc4s3)cc(C)c2n1
InChIInChI=1S/C36H33FN8S5/c1-16-8-25(44-45-15-17(2)40-32(16)45)27-14-30-36(48-27)42-33(49-30)20-5-7-39-24(11-20)23-10-19(4-6-38-23)26-13-29-35(47-26)43-34(50-29)21-9-22(37)31-28(12-21)46-18(3)41-31/h8-9,12-15,19-20,23-24,38-39H,4-7,10-11H2,1-3H3
InChIKeyDPPVSBDNCZBURN-UHFFFAOYSA-N
XLogP9.45
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.05
LogP ≤ 59.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole?
The IUPAC name of 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole (CID 162433008) is 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole?
The canonical SMILES for 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole is Cc1cn2nc(-c3cc4sc(C5CCNC(C6CC(c7cc8sc(-c9cc(F)c%10nc(C)sc%10c9)nc8s7)CCN6)C5)nc4s3)cc(C)c2n1.
What is the InChIKey of 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole?
The InChIKey is DPPVSBDNCZBURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33FN8S5/c1-16-8-25(44-45-15-17(2)40-32(16)45)27-14-30-36(48-27)42-33(49-30)20-5-7-39-24(11-20)23-10-19(4-6-38-23)26-13-29-35(47-26)43-34(50-29)21-9-22(37)31-28(12-21)46-18(3)41-31/h8-9,12-15,19-20,23-24,38-39H,4-7,10-11H2,1-3H3.
What are the key properties of 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole?
6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole has a molecular weight of 757.05 g/mol, XLogP of 9.45, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidin-2-yl]piperidin-4-yl]thieno[2,3-d][1,3]thiazol-2-yl]-4-fluoro-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 162433008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).