1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone

C23H22N4O2S — CID 25122353

IUPAC1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C23H22N4O2S/c28-21(14-29-16-8-2-1-3-9-16)27-13-7-6-12-20(27)19-15-30-23(24-19)22-17-10-4-5-11-18(17)25-26-22/h1-5,8-11,15,20H,6-7,12-14H2,(H,25,26)/t20-/m1/s1
InChIKeyPQGIBCBRNQMWHR-HXUWFJFHSA-N
MW418.52 g/mol
LogP4.82
Rot. Bonds5

About 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 25122353) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID25122353
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C23H22N4O2S/c28-21(14-29-16-8-2-1-3-9-16)27-13-7-6-12-20(27)19-15-30-23(24-19)22-17-10-4-5-11-18(17)25-26-22/h1-5,8-11,15,20H,6-7,12-14H2,(H,25,26)/t20-/m1/s1
InChIKeyPQGIBCBRNQMWHR-HXUWFJFHSA-N
XLogP4.82
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (CID 25122353) is 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2n[nH]c3ccccc23)n1.
What is the InChIKey of 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is PQGIBCBRNQMWHR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-21(14-29-16-8-2-1-3-9-16)27-13-7-6-12-20(27)19-15-30-23(24-19)22-17-10-4-5-11-18(17)25-26-22/h1-5,8-11,15,20H,6-7,12-14H2,(H,25,26)/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 418.52 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 25122353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).