(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C19H17FN2O2S — CID 93185978

IUPAC(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCC(=O)N1CCS[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12
InChIInChI=1S/C19H17FN2O2S/c1-13(23)22-10-11-25-19(22)15-7-3-5-9-17(15)21(18(19)24)12-14-6-2-4-8-16(14)20/h2-9H,10-12H2,1H3/t19-/m1/s1
InChIKeyQAYWIHXOBUPPPR-LJQANCHMSA-N
MW356.42 g/mol
LogP3.12
Rot. Bonds2

About (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93185978) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93185978
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCC(=O)N1CCS[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12
InChIInChI=1S/C19H17FN2O2S/c1-13(23)22-10-11-25-19(22)15-7-3-5-9-17(15)21(18(19)24)12-14-6-2-4-8-16(14)20/h2-9H,10-12H2,1H3/t19-/m1/s1
InChIKeyQAYWIHXOBUPPPR-LJQANCHMSA-N
XLogP3.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015256
1'-[(2-fluorophenyl)methyl]-N-(3-methoxyphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839123
(2R)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180172
(2S)-N-(2-fluorophenyl)-1'-[(2-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93180174
(2S)-1'-[(2-fluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186236
(2S)-3-(cyclopropanecarbonyl)-1'-[(2-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186240
(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187185
1'-[(2-fluorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017090
(2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186641
5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46151214
3-acetyl-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714607
(2R)-3-(cyclopentanecarbonyl)-1'-[(2-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186251

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93185978) is (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is CC(=O)N1CCS[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12.
What is the InChIKey of (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is QAYWIHXOBUPPPR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-13(23)22-10-11-25-19(22)15-7-3-5-9-17(15)21(18(19)24)12-14-6-2-4-8-16(14)20/h2-9H,10-12H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 356.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93185978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).