2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol

C27H35N7O2S — CID 59606142

IUPAC2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)sc2n1
InChIInChI=1S/C27H35N7O2S/c1-4-21-28-19-7-5-6-8-20(19)34(21)26-30-24(33-13-15-36-16-14-33)23-25(31-26)37-22(29-23)17-32-11-9-18(10-12-32)27(2,3)35/h5-8,18,35H,4,9-17H2,1-3H3
InChIKeyOUURPGAFNJVIFM-UHFFFAOYSA-N
MW521.69 g/mol
LogP3.81
Rot. Bonds6

About 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 59606142) has the molecular formula C27H35N7O2S and a molecular weight of 521.69 g/mol. Its IUPAC name is 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID59606142
Molecular FormulaC27H35N7O2S
Molecular Weight521.69 g/mol
Exact Mass521.26
IUPAC Name2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)sc2n1
InChIInChI=1S/C27H35N7O2S/c1-4-21-28-19-7-5-6-8-20(19)34(21)26-30-24(33-13-15-36-16-14-33)23-25(31-26)37-22(29-23)17-32-11-9-18(10-12-32)27(2,3)35/h5-8,18,35H,4,9-17H2,1-3H3
InChIKeyOUURPGAFNJVIFM-UHFFFAOYSA-N
XLogP3.81
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.69
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol with MolForge

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Related Compounds

2-[1-({2-[2-(Dimethylamino)-1h-Benzimidazol-1-Yl]-9-Methyl-6-(Morpholin-4-Yl)-9h-Purin-8-Yl}methyl)piperidin-4-Yl]propan-2-Ol
CID 59605870
2-(1-(2-morpholinobenzyl)-4-phenyl-1H-imidazol-5-yl)thiazolo[5,4-d]pyrimidin-7-amine
CID 45375946
2-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
CID 49834576
2-(1-((2-(2-cyclopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
CID 49834577
N,N-dimethyl-1-((2-(2-methyl-1H-benzo[d]imidazol-1-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperidin-4-amine
CID 57506741
2-methyl-2-(4-((2-(2-methyl-1H-benzo[d]imidazol-1-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide
CID 57506743
4-(6-((2,2-dimethyl-4-(oxetan-3-yl)piperazin-1-yl)methyl)-2-(2-ethyl-1H-benzo[d]imidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl)morpholine
CID 57506744
2-(1-((9-methyl-6-morpholino-2-(2-(tetrahydrofuran-2-yl)-1H-benzo[d]imidazol-1-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
CID 59605243
2-(1-((2-(2-isopropyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
CID 59605264
1-((2-(1H-benzo[d]imidazol-1-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N,N-dimethylpiperidin-4-amine
CID 59605427
2-[1-[[2-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperidin-4-yl]propan-2-ol
CID 59605488
2-(1-((9-methyl-6-morpholino-2-(2-morpholino-1H-benzo[d]imidazol-1-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
CID 59605669

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol (CID 59606142) is 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol is CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)sc2n1.
What is the InChIKey of 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is OUURPGAFNJVIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2S/c1-4-21-28-19-7-5-6-8-20(19)34(21)26-30-24(33-13-15-36-16-14-33)23-25(31-26)37-22(29-23)17-32-11-9-18(10-12-32)27(2,3)35/h5-8,18,35H,4,9-17H2,1-3H3.
What are the key properties of 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 521.69 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 59606142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).