1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol

C23H23N5O2S — CID 24824694

IUPAC1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
SMILESCOc1cccc(C(O)CNc2ccnc(Nc3cccc(-c4csc(C)n4)c3)n2)c1
InChIInChI=1S/C23H23N5O2S/c1-15-26-20(14-31-15)16-5-3-7-18(11-16)27-23-24-10-9-22(28-23)25-13-21(29)17-6-4-8-19(12-17)30-2/h3-12,14,21,29H,13H2,1-2H3,(H2,24,25,27,28)
InChIKeyZIZIJGNXLBSXIY-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.81
Rot. Bonds8

About 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol

1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol (PubChem CID 24824694) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
PubChem CID24824694
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol
SMILESCOc1cccc(C(O)CNc2ccnc(Nc3cccc(-c4csc(C)n4)c3)n2)c1
InChIInChI=1S/C23H23N5O2S/c1-15-26-20(14-31-15)16-5-3-7-18(11-16)27-23-24-10-9-22(28-23)25-13-21(29)17-6-4-8-19(12-17)30-2/h3-12,14,21,29H,13H2,1-2H3,(H2,24,25,27,28)
InChIKeyZIZIJGNXLBSXIY-UHFFFAOYSA-N
XLogP4.81
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

1-(3-methoxyphenyl)-2-[[2-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824538
2-[[2-(2-chloroanilino)pyrimidin-4-yl]amino]-1-(3-methoxyphenyl)ethanol
CID 71125354
2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
CID 24824262
N-(2,2-dimethoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 55233873
3-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 24823180
1-(3-methoxyphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133470904
1-(3,5-dimethoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133372946
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
2-[[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 24822683
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
2-N-[3-(3-methoxyphenyl)phenyl]-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798064

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol (CID 24824694) is 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol is COc1cccc(C(O)CNc2ccnc(Nc3cccc(-c4csc(C)n4)c3)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol?
The InChIKey is ZIZIJGNXLBSXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-15-26-20(14-31-15)16-5-3-7-18(11-16)27-23-24-10-9-22(28-23)25-13-21(29)17-6-4-8-19(12-17)30-2/h3-12,14,21,29H,13H2,1-2H3,(H2,24,25,27,28).
What are the key properties of 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol?
1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol has a molecular weight of 433.54 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 24824694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).