1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol

C20H23N5O2S — CID 67431807

IUPAC1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1ncc(-c2cccc(Nc3nccc(OC4CCNCC4)n3)c2)s1
InChIInChI=1S/C20H23N5O2S/c1-13(26)19-23-12-17(28-19)14-3-2-4-15(11-14)24-20-22-10-7-18(25-20)27-16-5-8-21-9-6-16/h2-4,7,10-13,16,21,26H,5-6,8-9H2,1H3,(H,22,24,25)
InChIKeyUKOGUNHVVMTDGU-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.53
Rot. Bonds6

About 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol

1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol (PubChem CID 67431807) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol
PubChem CID67431807
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1ncc(-c2cccc(Nc3nccc(OC4CCNCC4)n3)c2)s1
InChIInChI=1S/C20H23N5O2S/c1-13(26)19-23-12-17(28-19)14-3-2-4-15(11-14)24-20-22-10-7-18(25-20)27-16-5-8-21-9-6-16/h2-4,7,10-13,16,21,26H,5-6,8-9H2,1H3,(H,22,24,25)
InChIKeyUKOGUNHVVMTDGU-UHFFFAOYSA-N
XLogP3.53
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol with MolForge

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Related Compounds

1-[5-[3-methyl-5-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
CID 67433915
1-methyl-4-[2-[3-methyl-5-[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]anilino]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 67433019
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157362414
4-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-(3-piperidin-4-yloxyphenyl)pyrimidin-2-amine
CID 146222644
2,6-difluoro-N-[3-[5-[2-(3-fluoro-4-piperidin-4-yloxyanilino)pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]phenyl]benzamide
CID 58236838
[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
CID 154462205
N-methyl-4-pyrrolidin-3-yloxypyrimidin-2-amine
CID 175996386
cis-methyl (1R,4S)-4-hydroxy-2,2-dimethyl-4-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
CID 67430714
4-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine
CID 169314957
cis-(1S,4R)-4-hydroxy-2,2-dimethyl-4-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 67430956
4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-N-[3-(1-piperidin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68570450
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-piperidin-4-yloxyquinazolin-2-amine
CID 67102042

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol (CID 67431807) is 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol is CC(O)c1ncc(-c2cccc(Nc3nccc(OC4CCNCC4)n3)c2)s1.
What is the InChIKey of 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol?
The InChIKey is UKOGUNHVVMTDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-13(26)19-23-12-17(28-19)14-3-2-4-15(11-14)24-20-22-10-7-18(25-20)27-16-5-8-21-9-6-16/h2-4,7,10-13,16,21,26H,5-6,8-9H2,1H3,(H,22,24,25).
What are the key properties of 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol?
1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol has a molecular weight of 397.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[(4-piperidin-4-yloxypyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 67431807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).