4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol

C25H33NO2S — CID 141035548

IUPAC4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol
SMILESCc1cc2c(cc1-c1cc(CC3CNCS3)c(O)cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H33NO2S/c1-15-8-20-21(25(4,5)7-6-24(20,2)3)11-18(15)19-10-16(22(27)12-23(19)28)9-17-13-26-14-29-17/h8,10-12,17,26-28H,6-7,9,13-14H2,1-5H3
InChIKeyPQYKIVCKWHFZLJ-UHFFFAOYSA-N
MW411.61 g/mol
LogP5.63
Rot. Bonds3

About 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol

4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol (PubChem CID 141035548) has the molecular formula C25H33NO2S and a molecular weight of 411.61 g/mol. Its IUPAC name is 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol
PubChem CID141035548
Molecular FormulaC25H33NO2S
Molecular Weight411.61 g/mol
Exact Mass411.22
IUPAC Name4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol
SMILESCc1cc2c(cc1-c1cc(CC3CNCS3)c(O)cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H33NO2S/c1-15-8-20-21(25(4,5)7-6-24(20,2)3)11-18(15)19-10-16(22(27)12-23(19)28)9-17-13-26-14-29-17/h8,10-12,17,26-28H,6-7,9,13-14H2,1-5H3
InChIKeyPQYKIVCKWHFZLJ-UHFFFAOYSA-N
XLogP5.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.61
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol?
The IUPAC name of 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol (CID 141035548) is 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol?
The canonical SMILES for 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol is Cc1cc2c(cc1-c1cc(CC3CNCS3)c(O)cc1O)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol?
The InChIKey is PQYKIVCKWHFZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2S/c1-15-8-20-21(25(4,5)7-6-24(20,2)3)11-18(15)19-10-16(22(27)12-23(19)28)9-17-13-26-14-29-17/h8,10-12,17,26-28H,6-7,9,13-14H2,1-5H3.
What are the key properties of 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol?
4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol has a molecular weight of 411.61 g/mol, XLogP of 5.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6-(1,3-thiazolidin-5-ylmethyl)benzene-1,3-diol is sourced from PubChem (CID 141035548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).