1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone

C24H24N2O4S — CID 67356827

IUPAC1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(C2COc3ccccc3O2)n1
InChIInChI=1S/C24H24N2O4S/c27-23(15-28-17-8-2-1-3-9-17)26-13-7-6-10-19(26)18-16-31-24(25-18)22-14-29-20-11-4-5-12-21(20)30-22/h1-5,8-9,11-12,16,19,22H,6-7,10,13-15H2/t19-,22?/m1/s1
InChIKeyOZIMEXOBQSUTGI-LCQOSCCDSA-N
MW436.53 g/mol
LogP4.79
Rot. Bonds5

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

1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 67356827) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID67356827
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(C2COc3ccccc3O2)n1
InChIInChI=1S/C24H24N2O4S/c27-23(15-28-17-8-2-1-3-9-17)26-13-7-6-10-19(26)18-16-31-24(25-18)22-14-29-20-11-4-5-12-21(20)30-22/h1-5,8-9,11-12,16,19,22H,6-7,10,13-15H2/t19-,22?/m1/s1
InChIKeyOZIMEXOBQSUTGI-LCQOSCCDSA-N
XLogP4.79
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl]carbonyl}morpholine
CID 2821632
2-phenoxy-1-[(2R)-2-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 25121269
1-[(2R)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 25123085
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 2821634
[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 11220811
1-[4-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 29698152
2,4-Di(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole
CID 2836305
Cambridge id 5237996
CID 2836304
[2-[(2-Methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 24712991
[2-[(2-Methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 24712993
1-{2-[(2-Methoxyphenoxy)methyl]-1,3-thiazole-4-carbonyl}-4-methylpiperidine
CID 24712994
1-{2-[(2-Methoxyphenoxy)methyl]-1,3-thiazole-4-carbonyl}-4-methylpiperazine
CID 24712995

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone (CID 67356827) is 1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(C2COc3ccccc3O2)n1.
What is the InChIKey of 1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is OZIMEXOBQSUTGI-LCQOSCCDSA-N. The full InChI is InChI=1S/C24H24N2O4S/c27-23(15-28-17-8-2-1-3-9-17)26-13-7-6-10-19(26)18-16-31-24(25-18)22-14-29-20-11-4-5-12-21(20)30-22/h1-5,8-9,11-12,16,19,22H,6-7,10,13-15H2/t19-,22?/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 436.53 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 67356827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).