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-thiazole

C33H35N11S2 — CID 141123565

IUPAC2-[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-thiazole
SMILESc1ccc(C2(c3ncccn3)C(c3nccs3)(C3NCCS3)CCN(N3CCCCC3)C2(c2cnccn2)c2cccnn2)nc1
InChIInChI=1S/C33H35N11S2/c1-4-19-43(20-5-1)44-21-10-31(29-39-17-22-45-29,30-40-18-23-46-30)32(25-8-2-3-11-35-25,28-37-12-7-13-38-28)33(44,26-9-6-14-41-42-26)27-24-34-15-16-36-27/h2-3,6-9,11-17,22,24,30,40H,1,4-5,10,18-21,23H2
InChIKeyCGHQVRRGZRZRNE-UHFFFAOYSA-N
MW649.85 g/mol
LogP3.85
Rot. Bonds7

About 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-thiazole

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-thiazole (PubChem CID 141123565) has the molecular formula C33H35N11S2 and a molecular weight of 649.85 g/mol. Its IUPAC name is 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-thiazole.

Molecular Properties

Compound Name2-[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-thiazole
PubChem CID141123565
Molecular FormulaC33H35N11S2
Molecular Weight649.85 g/mol
Exact Mass649.25
IUPAC Name2-[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-thiazole
SMILESc1ccc(C2(c3ncccn3)C(c3nccs3)(C3NCCS3)CCN(N3CCCCC3)C2(c2cnccn2)c2cccnn2)nc1
InChIInChI=1S/C33H35N11S2/c1-4-19-43(20-5-1)44-21-10-31(29-39-17-22-45-29,30-40-18-23-46-30)32(25-8-2-3-11-35-25,28-37-12-7-13-38-28)33(44,26-9-6-14-41-42-26)27-24-34-15-16-36-27/h2-3,6-9,11-17,22,24,30,40H,1,4-5,10,18-21,23H2
InChIKeyCGHQVRRGZRZRNE-UHFFFAOYSA-N
XLogP3.85
TPSA121.63 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 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-thiazole with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 71007274
[4-methyl-1-[3-[(4R)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 135388650
[4-methyl-1-[3-[(4S)-4-methyl-6-(1,3-thiazol-2-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 142484723
2,4-Dimethyl-6-propan-2-ylpyridine;3-ethyl-1-methylpyrazole;5-fluoro-2-propan-2-ylpyridine;methane;2-(oxan-4-yl)-4-propan-2-ylpyridine;2-piperidin-1-yl-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159421158
4-(3,3-Dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine
CID 159531993
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(2,2-difluorocyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 160139144
4-[2-tert-butyl-4-[2-fluoro-3-(propylsulfanylamino)phenyl]-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 172569804
2-[[2-[4-[6-(1-Methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]methyl]-1,3-thiazole
CID 168264450
9-(3-Pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 46245022
9-(3-Pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 46245023
2-[5-Piperazin-1-yl-3-(1,3,5-triazin-2-yl)pyrazin-2-yl]-4-(4-pyrimidin-2-ylpyridazin-3-yl)-1,3-benzothiazole
CID 53786091
5-(4-Pyridazin-3-ylpyrimidin-2-yl)-4-[2-[3-thiophen-2-yl-5-(1,3,5-triazin-2-yl)pyrazin-2-yl]-1,3-thiazol-4-yl]thiadiazole
CID 54304309

Frequently Asked Questions

What is the IUPAC name of 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-thiazole?
The IUPAC name of 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-thiazole (CID 141123565) is 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-thiazole.
What is the SMILES notation for 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-thiazole?
The canonical SMILES for 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-thiazole is c1ccc(C2(c3ncccn3)C(c3nccs3)(C3NCCS3)CCN(N3CCCCC3)C2(c2cnccn2)c2cccnn2)nc1.
What is the InChIKey of 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-thiazole?
The InChIKey is CGHQVRRGZRZRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N11S2/c1-4-19-43(20-5-1)44-21-10-31(29-39-17-22-45-29,30-40-18-23-46-30)32(25-8-2-3-11-35-25,28-37-12-7-13-38-28)33(44,26-9-6-14-41-42-26)27-24-34-15-16-36-27/h2-3,6-9,11-17,22,24,30,40H,1,4-5,10,18-21,23H2.
What are the key properties of 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-thiazole?
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-thiazole has a molecular weight of 649.85 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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-thiazole is sourced from PubChem (CID 141123565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).