2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol

C21H25N5OS — CID 71479430

IUPAC2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCN(CCO)CC2)n1
InChIInChI=1S/C21H25N5OS/c1-15-23-18(16-7-9-26(10-8-16)11-12-27)13-20(24-15)25-21-22-14-19(28-21)17-5-3-2-4-6-17/h2-6,13-14,16,27H,7-12H2,1H3,(H,22,23,24,25)
InChIKeyZWQXEEHNSOGVLP-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.82
Rot. Bonds6

About 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol

2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol (PubChem CID 71479430) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol
PubChem CID71479430
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCN(CCO)CC2)n1
InChIInChI=1S/C21H25N5OS/c1-15-23-18(16-7-9-26(10-8-16)11-12-27)13-20(24-15)25-21-22-14-19(28-21)17-5-3-2-4-6-17/h2-6,13-14,16,27H,7-12H2,1H3,(H,22,23,24,25)
InChIKeyZWQXEEHNSOGVLP-UHFFFAOYSA-N
XLogP3.82
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol (CID 71479430) is 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol is Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol?
The InChIKey is ZWQXEEHNSOGVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-15-23-18(16-7-9-26(10-8-16)11-12-27)13-20(24-15)25-21-22-14-19(28-21)17-5-3-2-4-6-17/h2-6,13-14,16,27H,7-12H2,1H3,(H,22,23,24,25).
What are the key properties of 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol?
2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol has a molecular weight of 395.53 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 71479430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).