Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole

C28H23ClN2O2S — CID 50906638

IUPAC—
SMILESCc1ccccc1[C@H]1[C@@H]2CSCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12Cc1ccccc1C2=O
InChIInChI=1S/C28H23ClN2O2S/c1-16-6-2-4-8-19(16)24-23-14-34-15-31(23)28(21-12-18(29)10-11-22(21)30-26(28)33)27(24)13-17-7-3-5-9-20(17)25(27)32/h2-12,23-24H,13-15H2,1H3,(H,30,33)/t23-,24-,27-,28-/m0/s1
InChIKeyMICLNMHAJNPJPD-LSGCGUROSA-N
MW487.02 g/mol
LogP5.39
Rot. Bonds1

About Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole

Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole (PubChem CID 50906638) has the molecular formula C28H23ClN2O2S and a molecular weight of 487.02 g/mol.

Molecular Properties

Compound NameSpiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole
PubChem CID50906638
Molecular FormulaC28H23ClN2O2S
Molecular Weight487.02 g/mol
Exact Mass486.12
IUPAC Name—
SMILESCc1ccccc1[C@H]1[C@@H]2CSCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12Cc1ccccc1C2=O
InChIInChI=1S/C28H23ClN2O2S/c1-16-6-2-4-8-19(16)24-23-14-34-15-31(23)28(21-12-18(29)10-11-22(21)30-26(28)33)27(24)13-17-7-3-5-9-20(17)25(27)32/h2-12,23-24H,13-15H2,1H3,(H,30,33)/t23-,24-,27-,28-/m0/s1
InChIKeyMICLNMHAJNPJPD-LSGCGUROSA-N
XLogP5.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.02
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole with MolForge

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Related Compounds

(5'R,7'S,7a'R)-7'-(2-Bromophenyl)-5''-chloro-7',7a'-dihydro-1'H-dispiro[indene-2,6'-pyrrolo[1,2-c][1,3]thiazole-5',3''-indole]-1,2'',3(1''H)-trione
CID 52942762
(5'R,7'R,7a'R)-7'-(2-Methylphenyl)-7',7a'-dihydro-1'H-dispiro[indene-2,6'-pyrrolo[1,2-c][1,3]thiazole-5',3''-indole]-1,2'',3(1''H)-trione
CID 52946162
Spiro[5.3']-5'-nitrooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(4-flurophenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole
CID 50906852
Spiro[5.3']-5'-nitrooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(4-methoxyphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole
CID 50906851
Spiro[5.3']-oxindole-spiro-[6.3'']-2,3-dihydro-1H-inden-1''-one-7-(4-nitrophenyl) tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole
CID 50905994
CID 46228386
CID 46228386
CID 177417934
CID 177417934
CID 57399331
CID 57399331
CID 46228362
CID 46228362
CID 46228349
CID 46228349
CID 46228328
CID 46228328
CID 71836603
CID 71836603

Frequently Asked Questions

What is the IUPAC name of Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole?
The IUPAC name of Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole (CID 50906638) is not available.
What is the SMILES notation for Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole?
The canonical SMILES for Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole is Cc1ccccc1[C@H]1[C@@H]2CSCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12Cc1ccccc1C2=O.
What is the InChIKey of Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole?
The InChIKey is MICLNMHAJNPJPD-LSGCGUROSA-N. The full InChI is InChI=1S/C28H23ClN2O2S/c1-16-6-2-4-8-19(16)24-23-14-34-15-31(23)28(21-12-18(29)10-11-22(21)30-26(28)33)27(24)13-17-7-3-5-9-20(17)25(27)32/h2-12,23-24H,13-15H2,1H3,(H,30,33)/t23-,24-,27-,28-/m0/s1.
What are the key properties of Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole?
Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole has a molecular weight of 487.02 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Spiro[5.3']-5'-chlorooxindole-spiro-[6.3'']-2,3-dihydro-1Hinden-1''-one-7-(2-methylphenyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole is sourced from PubChem (CID 50906638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).