2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol

C25H28N6O2S — CID 155806284

IUPAC2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCOc1ccccc1-c1ccc2nc(Nc3cc(N4CCN(CCO)CC4)nc(C)n3)sc2c1
InChIInChI=1S/C25H28N6O2S/c1-17-26-23(16-24(27-17)31-11-9-30(10-12-31)13-14-32)29-25-28-20-8-7-18(15-22(20)34-25)19-5-3-4-6-21(19)33-2/h3-8,15-16,32H,9-14H2,1-2H3,(H,26,27,28,29)
InChIKeyGZJSSOHJXUEHMD-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.93
Rot. Bonds7

About 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 155806284) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID155806284
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC Name2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCOc1ccccc1-c1ccc2nc(Nc3cc(N4CCN(CCO)CC4)nc(C)n3)sc2c1
InChIInChI=1S/C25H28N6O2S/c1-17-26-23(16-24(27-17)31-11-9-30(10-12-31)13-14-32)29-25-28-20-8-7-18(15-22(20)34-25)19-5-3-4-6-21(19)33-2/h3-8,15-16,32H,9-14H2,1-2H3,(H,26,27,28,29)
InChIKeyGZJSSOHJXUEHMD-UHFFFAOYSA-N
XLogP3.93
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 89258443
2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 137400862
2-[[6-[4-(2-benzoyloxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 89258579
2-(2,6-difluorophenyl)-1-[2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]ethanone
CID 158140685
N-(2,6-difluorophenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 135359167
1-[6-(2-ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71655731
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
6-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112870842
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
2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 4178655
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772513

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol (CID 155806284) is 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol is COc1ccccc1-c1ccc2nc(Nc3cc(N4CCN(CCO)CC4)nc(C)n3)sc2c1.
What is the InChIKey of 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is GZJSSOHJXUEHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-17-26-23(16-24(27-17)31-11-9-30(10-12-31)13-14-32)29-25-28-20-8-7-18(15-22(20)34-25)19-5-3-4-6-21(19)33-2/h3-8,15-16,32H,9-14H2,1-2H3,(H,26,27,28,29).
What are the key properties of 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 476.61 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 155806284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).