(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C18H16N2O3S — CID 902536

IUPAC(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCOc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C18H16N2O3S/c1-11-16(21)20(12-7-9-13(23-2)10-8-12)18(24-11)14-5-3-4-6-15(14)19-17(18)22/h3-11H,1-2H3,(H,19,22)/t11-,18+/m0/s1
InChIKeyXSQSECQRRRCUPN-BBATYDOGSA-N
MW340.40 g/mol
LogP2.97
Rot. Bonds2

About (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 902536) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID902536
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCOc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C18H16N2O3S/c1-11-16(21)20(12-7-9-13(23-2)10-8-12)18(24-11)14-5-3-4-6-15(14)19-17(18)22/h3-11H,1-2H3,(H,19,22)/t11-,18+/m0/s1
InChIKeyXSQSECQRRRCUPN-BBATYDOGSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 902536) is (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is COc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is XSQSECQRRRCUPN-BBATYDOGSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11-16(21)20(12-7-9-13(23-2)10-8-12)18(24-11)14-5-3-4-6-15(14)19-17(18)22/h3-11H,1-2H3,(H,19,22)/t11-,18+/m0/s1.
What are the key properties of (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 340.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 902536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).