1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C18H17ClN2O2S — CID 46014824

IUPAC1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)C1(NCCS1)C(=O)N2Cc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2S/c1-23-13-6-7-16-14(10-13)18(20-8-9-24-18)17(22)21(16)11-12-4-2-3-5-15(12)19/h2-7,10,20H,8-9,11H2,1H3
InChIKeyVRPDJBAVDCDXTI-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.38
Rot. Bonds3

About 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46014824) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46014824
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOc1ccc2c(c1)C1(NCCS1)C(=O)N2Cc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O2S/c1-23-13-6-7-16-14(10-13)18(20-8-9-24-18)17(22)21(16)11-12-4-2-3-5-15(12)19/h2-7,10,20H,8-9,11H2,1H3
InChIKeyVRPDJBAVDCDXTI-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017183
1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017184
(2S)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187053
1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714506
(2R)-N-(3-chlorophenyl)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185348
1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016983
(3S)-5-chloro-1-[(2-chlorophenyl)methyl]-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 40875833
3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile
CID 24714519
1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
CID 61356917
3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017098
(2R)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186622
3-acetyl-1'-[(2-chlorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016894

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46014824) is 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one is COc1ccc2c(c1)C1(NCCS1)C(=O)N2Cc1ccccc1Cl.
What is the InChIKey of 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is VRPDJBAVDCDXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-23-13-6-7-16-14(10-13)18(20-8-9-24-18)17(22)21(16)11-12-4-2-3-5-15(12)19/h2-7,10,20H,8-9,11H2,1H3.
What are the key properties of 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 360.87 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46014824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).