N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide

C24H25N3O3S — CID 25121980

IUPACN-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C24H25N3O3S/c1-17(28)25-19-12-10-18(11-13-19)21-16-31-24(26-21)22-9-5-6-14-27(22)23(29)15-30-20-7-3-2-4-8-20/h2-4,7-8,10-13,16,22H,5-6,9,14-15H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyXDDLUKKQWPIFMZ-JOCHJYFZSA-N
MW435.55 g/mol
LogP4.90
Rot. Bonds6

About N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 25121980) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID25121980
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1
InChIInChI=1S/C24H25N3O3S/c1-17(28)25-19-12-10-18(11-13-19)21-16-31-24(26-21)22-9-5-6-14-27(22)23(29)15-30-20-7-3-2-4-8-20/h2-4,7-8,10-13,16,22H,5-6,9,14-15H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyXDDLUKKQWPIFMZ-JOCHJYFZSA-N
XLogP4.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)carbamoyl]methyl acetate
CID 24901589
2H-1,4-Benzoxazin-3(4H)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-
CID 2455762
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenoxyacetamide
CID 1133003
4,5-bis(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 9981363
2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 25095157
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-N'-(2-methoxyphenyl)ethanediamide
CID 7216680
2-[4-(1,3-Benzothiazol-2-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 2350207
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-2-phenoxyacetamide
CID 7216557
1-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-2-(4-ethylphenoxy)propan-1-one
CID 16015900
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
CID 16015970
1-(3-methoxybenzyl)-N-[4-(1,3-thiazol-4-yl)phenyl]-3-piperidinecarboxamide
CID 24792091

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide (CID 25121980) is N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is XDDLUKKQWPIFMZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-17(28)25-19-12-10-18(11-13-19)21-16-31-24(26-21)22-9-5-6-14-27(22)23(29)15-30-20-7-3-2-4-8-20/h2-4,7-8,10-13,16,22H,5-6,9,14-15H2,1H3,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 25121980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).