[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

C21H17N3O3S — CID 8920768

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESC[C@@H](OC(=O)Cc1csc(-c2cccnc2)n1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O3S/c1-13(20(26)17-11-23-18-7-3-2-6-16(17)18)27-19(25)9-15-12-28-21(24-15)14-5-4-8-22-10-14/h2-8,10-13,23H,9H2,1H3/t13-/m1/s1
InChIKeyDOHBZXQSBSTGEB-CYBMUJFWSA-N
MW391.45 g/mol
LogP4.04
Rot. Bonds6

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8920768) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID8920768
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
SMILESC[C@@H](OC(=O)Cc1csc(-c2cccnc2)n1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O3S/c1-13(20(26)17-11-23-18-7-3-2-6-16(17)18)27-19(25)9-15-12-28-21(24-15)14-5-4-8-22-10-14/h2-8,10-13,23H,9H2,1H3/t13-/m1/s1
InChIKeyDOHBZXQSBSTGEB-CYBMUJFWSA-N
XLogP4.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920212
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8998210
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388644
2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone
CID 55809999
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 43001103
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919957
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919773
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661248
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 42900383
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate (CID 8920768) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is C[C@@H](OC(=O)Cc1csc(-c2cccnc2)n1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is DOHBZXQSBSTGEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-13(20(26)17-11-23-18-7-3-2-6-16(17)18)27-19(25)9-15-12-28-21(24-15)14-5-4-8-22-10-14/h2-8,10-13,23H,9H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 391.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8920768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).