(4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine

C31H29NOS — CID 162706540

IUPAC(4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine
SMILESCc1cc2oc3ccccc3c2cc1N1C(c2c(C)cccc2C)SC(c2ccccc2)[C@@H]1C
InChIInChI=1S/C31H29NOS/c1-19-11-10-12-20(2)29(19)31-32(22(4)30(34-31)23-13-6-5-7-14-23)26-18-25-24-15-8-9-16-27(24)33-28(25)17-21(26)3/h5-18,22,30-31H,1-4H3/t22-,30?,31?/m0/s1
InChIKeyKQTYDEOGDXKXDZ-QFOQKONLSA-N
MW463.65 g/mol
LogP8.89
Rot. Bonds3

About (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine

(4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine (PubChem CID 162706540) has the molecular formula C31H29NOS and a molecular weight of 463.65 g/mol. Its IUPAC name is (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name(4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine
PubChem CID162706540
Molecular FormulaC31H29NOS
Molecular Weight463.65 g/mol
Exact Mass463.20
IUPAC Name(4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine
SMILESCc1cc2oc3ccccc3c2cc1N1C(c2c(C)cccc2C)SC(c2ccccc2)[C@@H]1C
InChIInChI=1S/C31H29NOS/c1-19-11-10-12-20(2)29(19)31-32(22(4)30(34-31)23-13-6-5-7-14-23)26-18-25-24-15-8-9-16-27(24)33-28(25)17-21(26)3/h5-18,22,30-31H,1-4H3/t22-,30?,31?/m0/s1
InChIKeyKQTYDEOGDXKXDZ-QFOQKONLSA-N
XLogP8.89
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.65
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine?
The IUPAC name of (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine (CID 162706540) is (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine.
What is the SMILES notation for (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine?
The canonical SMILES for (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine is Cc1cc2oc3ccccc3c2cc1N1C(c2c(C)cccc2C)SC(c2ccccc2)[C@@H]1C.
What is the InChIKey of (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine?
The InChIKey is KQTYDEOGDXKXDZ-QFOQKONLSA-N. The full InChI is InChI=1S/C31H29NOS/c1-19-11-10-12-20(2)29(19)31-32(22(4)30(34-31)23-13-6-5-7-14-23)26-18-25-24-15-8-9-16-27(24)33-28(25)17-21(26)3/h5-18,22,30-31H,1-4H3/t22-,30?,31?/m0/s1.
What are the key properties of (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine?
(4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine has a molecular weight of 463.65 g/mol, XLogP of 8.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2,6-dimethylphenyl)-4-methyl-3-(3-methyldibenzofuran-2-yl)-5-phenyl-1,3-thiazolidine is sourced from PubChem (CID 162706540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).