5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol

C27H28N2O6S — CID 91257911

IUPAC5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)N(COCc2ccccc2)C(O)=CN1c1cc2c(cc1OCc1ccccc1)CC(O)CC2
InChIInChI=1S/C27H28N2O6S/c30-24-12-11-22-14-25(26(15-23(22)13-24)35-18-21-9-5-2-6-10-21)28-16-27(31)29(36(28,32)33)19-34-17-20-7-3-1-4-8-20/h1-10,14-16,24,30-31H,11-13,17-19H2
InChIKeyCWZZHMVCDHRVJQ-UHFFFAOYSA-N
MW508.60 g/mol
LogP4.01
Rot. Bonds8

About 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol

5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol (PubChem CID 91257911) has the molecular formula C27H28N2O6S and a molecular weight of 508.60 g/mol. Its IUPAC name is 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol
PubChem CID91257911
Molecular FormulaC27H28N2O6S
Molecular Weight508.60 g/mol
Exact Mass508.17
IUPAC Name5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)N(COCc2ccccc2)C(O)=CN1c1cc2c(cc1OCc1ccccc1)CC(O)CC2
InChIInChI=1S/C27H28N2O6S/c30-24-12-11-22-14-25(26(15-23(22)13-24)35-18-21-9-5-2-6-10-21)28-16-27(31)29(36(28,32)33)19-34-17-20-7-3-1-4-8-20/h1-10,14-16,24,30-31H,11-13,17-19H2
InChIKeyCWZZHMVCDHRVJQ-UHFFFAOYSA-N
XLogP4.01
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 66750740
8-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 102424590
tert-butyl 3-[[4-[4-hydroxy-1,1-dioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazol-2-yl]-3-phenylmethoxyphenyl]methyl]piperidine-1-carboxylate
CID 91152964
2-benzyl-1,1-dioxo-5-(6-oxo-3-phenylmethoxy-7,8-dihydro-5H-naphthalen-2-yl)-1,2,5-thiadiazolidin-3-one
CID 66751194
6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
tert-butyl N-[1-[4-[4-hydroxy-1,1-dioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazol-2-yl]-3-phenylmethoxyphenyl]-3-phenylpropan-2-yl]carbamate
CID 91074481
1,1-dioxo-5-[2-phenylmethoxy-4-[2-(1,3-thiazol-5-yl)ethenyl]phenyl]-2-(2-trimethylsilylethyl)-1,2,5-thiadiazol-3-ol
CID 91554064
7-bromo-3-methyl-8-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
CID 91591578
(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 102281148
5-[7-(cyclopenten-1-yl)-3-phenylmethoxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91069982
5-(5-benzyl-2-phenylmethoxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91349833
5-[4-(furan-3-yl)-2-phenylmethoxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91178523

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol (CID 91257911) is 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol is O=S1(=O)N(COCc2ccccc2)C(O)=CN1c1cc2c(cc1OCc1ccccc1)CC(O)CC2.
What is the InChIKey of 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol?
The InChIKey is CWZZHMVCDHRVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O6S/c30-24-12-11-22-14-25(26(15-23(22)13-24)35-18-21-9-5-2-6-10-21)28-16-27(31)29(36(28,32)33)19-34-17-20-7-3-1-4-8-20/h1-10,14-16,24,30-31H,11-13,17-19H2.
What are the key properties of 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol?
5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol has a molecular weight of 508.60 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxy-3-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2-(phenylmethoxymethyl)-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 91257911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).