5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C18H26N2O4S — CID 91175943

IUPAC5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCCCC1(CCC)CCc2cc(O)c(N3C=C(O)NS3(=O)=O)cc2C1
InChIInChI=1S/C18H26N2O4S/c1-3-6-18(7-4-2)8-5-13-10-16(21)15(9-14(13)11-18)20-12-17(22)19-25(20,23)24/h9-10,12,19,21-22H,3-8,11H2,1-2H3
InChIKeyGTFCXAJOJJUPMU-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.48
Rot. Bonds5

About 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 91175943) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID91175943
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCCCC1(CCC)CCc2cc(O)c(N3C=C(O)NS3(=O)=O)cc2C1
InChIInChI=1S/C18H26N2O4S/c1-3-6-18(7-4-2)8-5-13-10-16(21)15(9-14(13)11-18)20-12-17(22)19-25(20,23)24/h9-10,12,19,21-22H,3-8,11H2,1-2H3
InChIKeyGTFCXAJOJJUPMU-UHFFFAOYSA-N
XLogP3.48
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 91175943) is 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is CCCC1(CCC)CCc2cc(O)c(N3C=C(O)NS3(=O)=O)cc2C1.
What is the InChIKey of 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is GTFCXAJOJJUPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-6-18(7-4-2)8-5-13-10-16(21)15(9-14(13)11-18)20-12-17(22)19-25(20,23)24/h9-10,12,19,21-22H,3-8,11H2,1-2H3.
What are the key properties of 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 366.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 91175943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).