[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone

C23H26N4O2S — CID 121305901

IUPAC[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](c2cc(C(C)(C)O)sn2)CN1C(=O)c1ccccc1-c1ncccn1
InChIInChI=1S/C23H26N4O2S/c1-15-9-10-16(19-13-20(30-26-19)23(2,3)29)14-27(15)22(28)18-8-5-4-7-17(18)21-24-11-6-12-25-21/h4-8,11-13,15-16,29H,9-10,14H2,1-3H3/t15-,16-/m1/s1
InChIKeyVHOHJOJHFZPBSX-HZPDHXFCSA-N
MW422.55 g/mol
LogP4.24
Rot. Bonds4

About [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone

[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (PubChem CID 121305901) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
PubChem CID121305901
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](c2cc(C(C)(C)O)sn2)CN1C(=O)c1ccccc1-c1ncccn1
InChIInChI=1S/C23H26N4O2S/c1-15-9-10-16(19-13-20(30-26-19)23(2,3)29)14-27(15)22(28)18-8-5-4-7-17(18)21-24-11-6-12-25-21/h4-8,11-13,15-16,29H,9-10,14H2,1-3H3/t15-,16-/m1/s1
InChIKeyVHOHJOJHFZPBSX-HZPDHXFCSA-N
XLogP4.24
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidine-1-carbonyl]benzoate
CID 121305883
[(2R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylthiophen-3-yl)methanone;2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]butan-2-ol;2-pyrimidin-2-ylthiophene-3-carboxylic acid
CID 145074362
magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone;methyl 5-methyl-2-[(3R,6R)-6-methylpiperidin-3-yl]-1,3-thiazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate;bromide
CID 159486748
2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 71526207
3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 118435980
(5-fluoro-2-pyrimidin-2-ylphenyl)-[(2R,5R)-5-[[3-(2-hydroxypropan-2-yl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]methanone
CID 87054963
[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-thiadiazol-3-yl]-2-methylpiperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 121314580
[(2S,5R)-2-methyl-5-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 146676327
[5-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123287194
[5-[5-[(2S)-2-hydroxybutan-2-yl]-1,2-oxazol-3-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 146157833
sodium;hydride;[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-oxazol-3-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;iodomethane;[(2R,5R)-5-[5-(2-methoxypropan-2-yl)-1,2-oxazol-3-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 159115643
(2-aminophenyl)-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]methanone
CID 145074212

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (CID 121305901) is [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is C[C@@H]1CC[C@@H](c2cc(C(C)(C)O)sn2)CN1C(=O)c1ccccc1-c1ncccn1.
What is the InChIKey of [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is VHOHJOJHFZPBSX-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15-9-10-16(19-13-20(30-26-19)23(2,3)29)14-27(15)22(28)18-8-5-4-7-17(18)21-24-11-6-12-25-21/h4-8,11-13,15-16,29H,9-10,14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 422.55 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 121305901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).