2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

C22H21Cl2N7OS — CID 56953484

IUPAC2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(Nc3nccc4nc(-c5c(Cl)cccc5Cl)sc34)ncn2)CC1
InChIInChI=1S/C22H21Cl2N7OS/c23-14-2-1-3-15(24)19(14)22-28-16-4-5-25-21(20(16)33-22)29-17-12-18(27-13-26-17)31-8-6-30(7-9-31)10-11-32/h1-5,12-13,32H,6-11H2,(H,25,26,27,29)
InChIKeyVMNCPWAAYGQDCK-UHFFFAOYSA-N
MW502.43 g/mol
LogP4.31
Rot. Bonds6

About 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 56953484) has the molecular formula C22H21Cl2N7OS and a molecular weight of 502.43 g/mol. Its IUPAC name is 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID56953484
Molecular FormulaC22H21Cl2N7OS
Molecular Weight502.43 g/mol
Exact Mass501.09
IUPAC Name2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(Nc3nccc4nc(-c5c(Cl)cccc5Cl)sc34)ncn2)CC1
InChIInChI=1S/C22H21Cl2N7OS/c23-14-2-1-3-15(24)19(14)22-28-16-4-5-25-21(20(16)33-22)29-17-12-18(27-13-26-17)31-8-6-30(7-9-31)10-11-32/h1-5,12-13,32H,6-11H2,(H,25,26,27,29)
InChIKeyVMNCPWAAYGQDCK-UHFFFAOYSA-N
XLogP4.31
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 66801583
4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 66807105
3-chloro-2-[6-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-1-yl]benzonitrile
CID 172692999
1-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-(2-hydroxyethyl)urea
CID 56952418
2-[4-[5-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrazin-2-yl]piperazin-1-yl]ethanol
CID 67383775
3,5-dichloro-4-[6-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-7H-purin-8-yl]benzonitrile
CID 67383600
2-[4-[6-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 59837652
N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383622
2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67388176
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;methane
CID 24795068
N-bromo-N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 175288627
N-[2,6-di(propan-2-yl)phenyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858173

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 56953484) is 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2cc(Nc3nccc4nc(-c5c(Cl)cccc5Cl)sc34)ncn2)CC1.
What is the InChIKey of 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is VMNCPWAAYGQDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N7OS/c23-14-2-1-3-15(24)19(14)22-28-16-4-5-25-21(20(16)33-22)29-17-12-18(27-13-26-17)31-8-6-30(7-9-31)10-11-32/h1-5,12-13,32H,6-11H2,(H,25,26,27,29).
What are the key properties of 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 502.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 56953484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).