(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C22H22ClN3O3S — CID 97464897

IUPAC(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCOCC2)c2ccccc23)cc1Cl
InChIInChI=1S/C22H22ClN3O3S/c1-15-6-7-16(12-18(15)23)26-20(27)13-30-22(26)17-4-2-3-5-19(17)25(21(22)28)14-24-8-10-29-11-9-24/h2-7,12H,8-11,13-14H2,1H3/t22-/m0/s1
InChIKeyJJTATPIYTKLXOG-QFIPXVFZSA-N
MW443.96 g/mol
LogP3.22
Rot. Bonds3

About (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 97464897) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID97464897
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCOCC2)c2ccccc23)cc1Cl
InChIInChI=1S/C22H22ClN3O3S/c1-15-6-7-16(12-18(15)23)26-20(27)13-30-22(26)17-4-2-3-5-19(17)25(21(22)28)14-24-8-10-29-11-9-24/h2-7,12H,8-11,13-14H2,1H3/t22-/m0/s1
InChIKeyJJTATPIYTKLXOG-QFIPXVFZSA-N
XLogP3.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750664
(2S)-1'-(morpholin-4-ylmethyl)-3-(4-phenoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26415725
(2S)-1'-(morpholin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 100816737
(2S)-3-(4-chlorophenyl)-1'-[(4-methylpiperidin-1-yl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 26516671
1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 4223491
1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922138
(2S)-1'-[(4-methylpiperidin-1-yl)methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 2295671
3-(4-ethylphenyl)-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17380283
(2S)-1'-[(4-benzhydrylpiperazin-1-yl)methyl]-3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92905385
(2S)-1'-[(4-benzylpiperazin-1-yl)methyl]-3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92650910
(2R)-1'-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 27036649
(2S)-1'-[[(3R,5S)-3,5-dimethylmorpholin-4-yl]methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 100894719

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 97464897) is (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(CN2CCOCC2)c2ccccc23)cc1Cl.
What is the InChIKey of (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is JJTATPIYTKLXOG-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-15-6-7-16(12-18(15)23)26-20(27)13-30-22(26)17-4-2-3-5-19(17)25(21(22)28)14-24-8-10-29-11-9-24/h2-7,12H,8-11,13-14H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 443.96 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 97464897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).