3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol

C12H10N2O5S — CID 91098323

IUPAC3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol
SMILESO=S1(=O)NC(O)=CN1c1cc2cc(O)ccc2cc1O
InChIInChI=1S/C12H10N2O5S/c15-9-2-1-7-5-11(16)10(4-8(7)3-9)14-6-12(17)13-20(14,18)19/h1-6,13,15-17H
InChIKeyQHOMDBRUTQXXSC-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.26
Rot. Bonds1

About 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol

3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol (PubChem CID 91098323) has the molecular formula C12H10N2O5S and a molecular weight of 294.29 g/mol. Its IUPAC name is 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol.

Molecular Properties

Compound Name3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol
PubChem CID91098323
Molecular FormulaC12H10N2O5S
Molecular Weight294.29 g/mol
Exact Mass294.03
IUPAC Name3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol
SMILESO=S1(=O)NC(O)=CN1c1cc2cc(O)ccc2cc1O
InChIInChI=1S/C12H10N2O5S/c15-9-2-1-7-5-11(16)10(4-8(7)3-9)14-6-12(17)13-20(14,18)19/h1-6,13,15-17H
InChIKeyQHOMDBRUTQXXSC-UHFFFAOYSA-N
XLogP1.26
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-hydroxy-7-(3-phenylpropyl)naphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 90763645
5-[3-hydroxy-7-(oxolan-3-yl)naphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91291422
5-[2-hydroxy-4-(methylsulfanylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91183795
5-[2-hydroxy-5-(3-methylbutoxy)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 90843870
4-[2-[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]ethyl]benzoic acid
CID 91020999
5-[7-(cyclopenten-1-yl)-3-phenylmethoxynaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91069982
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
N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide
CID 91205248
5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91016800
5-[2-hydroxy-4-(2-hydroxyhexyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 90789763
3-[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]-N-propan-2-ylpropanamide
CID 90823212
5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 123773983

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol?
The IUPAC name of 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol (CID 91098323) is 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol.
What is the SMILES notation for 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol?
The canonical SMILES for 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol is O=S1(=O)NC(O)=CN1c1cc2cc(O)ccc2cc1O.
What is the InChIKey of 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol?
The InChIKey is QHOMDBRUTQXXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5S/c15-9-2-1-7-5-11(16)10(4-8(7)3-9)14-6-12(17)13-20(14,18)19/h1-6,13,15-17H.
What are the key properties of 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol?
3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol has a molecular weight of 294.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol is sourced from PubChem (CID 91098323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).