[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

C18H19NO3S — CID 30545472

IUPAC[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C18H19NO3S/c1-11(22-17(20)9-16-10-23-12(2)19-16)18(21)15-7-6-13-4-3-5-14(13)8-15/h6-8,10-11H,3-5,9H2,1-2H3/t11-/m1/s1
InChIKeyMPHQYZSIEBZKAD-LLVKDONJSA-N
MW329.42 g/mol
LogP3.30
Rot. Bonds5

About [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 30545472) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID30545472
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C18H19NO3S/c1-11(22-17(20)9-16-10-23-12(2)19-16)18(21)15-7-6-13-4-3-5-14(13)8-15/h6-8,10-11H,3-5,9H2,1-2H3/t11-/m1/s1
InChIKeyMPHQYZSIEBZKAD-LLVKDONJSA-N
XLogP3.30
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251757
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 51419493
2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470789
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 30368942
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979375
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129993
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881130
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737773
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794132
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 7190302
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 7743797
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7490560

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 30545472) is [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is Cc1nc(CC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cs1.
What is the InChIKey of [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is MPHQYZSIEBZKAD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-11(22-17(20)9-16-10-23-12(2)19-16)18(21)15-7-6-13-4-3-5-14(13)8-15/h6-8,10-11H,3-5,9H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 329.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 30545472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).