(2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C20H18ClFN2O3S — CID 93186641

IUPAC(2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOCC(=O)N1CCS[C@@]12C(=O)N(Cc1ccccc1F)c1ccc(Cl)cc12
InChIInChI=1S/C20H18ClFN2O3S/c1-27-12-18(25)24-8-9-28-20(24)15-10-14(21)6-7-17(15)23(19(20)26)11-13-4-2-3-5-16(13)22/h2-7,10H,8-9,11-12H2,1H3/t20-/m0/s1
InChIKeyDKIYNCZLEITWKE-FQEVSTJZSA-N
MW420.89 g/mol
LogP3.40
Rot. Bonds4

About (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93186641) has the molecular formula C20H18ClFN2O3S and a molecular weight of 420.89 g/mol. Its IUPAC name is (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93186641
Molecular FormulaC20H18ClFN2O3S
Molecular Weight420.89 g/mol
Exact Mass420.07
IUPAC Name(2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOCC(=O)N1CCS[C@@]12C(=O)N(Cc1ccccc1F)c1ccc(Cl)cc12
InChIInChI=1S/C20H18ClFN2O3S/c1-27-12-18(25)24-8-9-28-20(24)15-10-14(21)6-7-17(15)23(19(20)26)11-13-4-2-3-5-16(13)22/h2-7,10H,8-9,11-12H2,1H3/t20-/m0/s1
InChIKeyDKIYNCZLEITWKE-FQEVSTJZSA-N
XLogP3.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46151214
(2R)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186622
(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-methoxyacetyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187313
3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017098
(2S)-1'-[(2-fluorophenyl)methyl]-5'-methyl-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186236
1'-[(2-fluorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017090
(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93185978
1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016823
(2S)-3-(cyclopropanecarbonyl)-1'-[(2-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186240
3-(2-methoxyacetyl)-5'-methyl-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016876
(2S)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186603
(2R)-5'-chloro-1'-[(2-chlorophenyl)methyl]-3-(cyclopentanecarbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186769

Frequently Asked Questions

What is the IUPAC name of (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93186641) is (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is COCC(=O)N1CCS[C@@]12C(=O)N(Cc1ccccc1F)c1ccc(Cl)cc12.
What is the InChIKey of (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is DKIYNCZLEITWKE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18ClFN2O3S/c1-27-12-18(25)24-8-9-28-20(24)15-10-14(21)6-7-17(15)23(19(20)26)11-13-4-2-3-5-16(13)22/h2-7,10H,8-9,11-12H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 420.89 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5'-chloro-1'-[(2-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93186641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).