6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine

C36H35N11OS2 — CID 141054313

IUPAC6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine
SMILESc1ccc(C2(c3ncccn3)OC(c3nc4ccccc4s3)(C3NCCS3)CN(N3CCCCC3)C2(c2cnccn2)c2cccnn2)nc1
InChIInChI=1S/C36H35N11OS2/c1-6-21-46(22-7-1)47-25-34(32-42-20-23-49-32,33-44-26-10-2-3-11-27(26)50-33)48-36(29-12-4-5-14-38-29,31-40-15-9-16-41-31)35(47,28-13-8-17-43-45-28)30-24-37-18-19-39-30/h2-5,8-19,24,32,42H,1,6-7,20-23,25H2
InChIKeyZNPBEQLQFLIVCI-UHFFFAOYSA-N
MW701.89 g/mol
LogP4.54
Rot. Bonds7

About 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine

6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine (PubChem CID 141054313) has the molecular formula C36H35N11OS2 and a molecular weight of 701.89 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine
PubChem CID141054313
Molecular FormulaC36H35N11OS2
Molecular Weight701.89 g/mol
Exact Mass701.25
IUPAC Name6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine
SMILESc1ccc(C2(c3ncccn3)OC(c3nc4ccccc4s3)(C3NCCS3)CN(N3CCCCC3)C2(c2cnccn2)c2cccnn2)nc1
InChIInChI=1S/C36H35N11OS2/c1-6-21-46(22-7-1)47-25-34(32-42-20-23-49-32,33-44-26-10-2-3-11-27(26)50-33)48-36(29-12-4-5-14-38-29,31-40-15-9-16-41-31)35(47,28-13-8-17-43-45-28)30-24-37-18-19-39-30/h2-5,8-19,24,32,42H,1,6-7,20-23,25H2
InChIKeyZNPBEQLQFLIVCI-UHFFFAOYSA-N
XLogP4.54
TPSA130.86 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.89
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

5-Pyrazin-2-yl-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-oxazolidine
CID 140999362
4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141008988
2-[1-Pyrazin-2-yl-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-3-(1,3-thiazolidin-2-yl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]-1,3-benzothiazole
CID 141054319
2-[1-Piperidin-1-yl-2-pyrazin-2-yl-2-pyridazin-3-yl-3-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazolidin-2-yl)piperidin-4-yl]-1,3-benzothiazole
CID 141054336
6-Piperazin-1-yl-2-piperidin-1-yl-4-pyrazin-2-yl-3-pyrimidin-2-yl-2-quinolin-2-yl-3-(1,3-thiazol-2-yl)morpholine
CID 141079026
6-piperazin-1-yl-2-piperidin-1-yl-4-pyrazin-2-yl-3-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)-2-quinolin-2-yl-3-(1,3-thiazol-2-yl)morpholine
CID 141079032
2-[3-(1H-imidazol-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-2-thiophen-2-yl-4-(2H-triazol-4-yl)furan-2-yl]-1,3-benzothiazole
CID 141152585
2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine
CID 141155831
4-(2-Pyrazin-2-yl-4-pyridazin-3-yl-3-pyridin-2-yl-5-pyrimidin-2-yl-2-thiophen-2-ylfuran-3-yl)triazine
CID 141313624
2-(3-pyridazin-3-yl-2-pyridin-2-yl-4-pyrimidin-2-yl-2-thiophen-2-yl-3H-furan-5-yl)pyrazine
CID 141344335
2-[3-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-phenyl-2-(4-pyrazin-2-yl-3-pyrimidin-2-yl-1H-pyrrol-2-yl)-5-pyridazin-3-yl-4-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)oxolan-2-yl]-1,3-thiazole
CID 141442675

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine?
The IUPAC name of 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine (CID 141054313) is 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine.
What is the SMILES notation for 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine?
The canonical SMILES for 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine is c1ccc(C2(c3ncccn3)OC(c3nc4ccccc4s3)(C3NCCS3)CN(N3CCCCC3)C2(c2cnccn2)c2cccnn2)nc1.
What is the InChIKey of 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine?
The InChIKey is ZNPBEQLQFLIVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N11OS2/c1-6-21-46(22-7-1)47-25-34(32-42-20-23-49-32,33-44-26-10-2-3-11-27(26)50-33)48-36(29-12-4-5-14-38-29,31-40-15-9-16-41-31)35(47,28-13-8-17-43-45-28)30-24-37-18-19-39-30/h2-5,8-19,24,32,42H,1,6-7,20-23,25H2.
What are the key properties of 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine?
6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine has a molecular weight of 701.89 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-yl)-4-piperidin-1-yl-3-pyrazin-2-yl-3-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,3-thiazolidin-2-yl)morpholine is sourced from PubChem (CID 141054313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).