5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C12H11N3O4S2 — CID 91016800

IUPAC5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)NC(O)=CN1c1ccc(Cc2nccs2)cc1O
InChIInChI=1S/C12H11N3O4S2/c16-10-5-8(6-12-13-3-4-20-12)1-2-9(10)15-7-11(17)14-21(15,18)19/h1-5,7,14,16-17H,6H2
InChIKeyTWRRHJLCIOVGJB-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.45
Rot. Bonds3

About 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 91016800) has the molecular formula C12H11N3O4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID91016800
Molecular FormulaC12H11N3O4S2
Molecular Weight325.37 g/mol
Exact Mass325.02
IUPAC Name5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESO=S1(=O)NC(O)=CN1c1ccc(Cc2nccs2)cc1O
InChIInChI=1S/C12H11N3O4S2/c16-10-5-8(6-12-13-3-4-20-12)1-2-9(10)15-7-11(17)14-21(15,18)19/h1-5,7,14,16-17H,6H2
InChIKeyTWRRHJLCIOVGJB-UHFFFAOYSA-N
XLogP1.45
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 91016800) is 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is O=S1(=O)NC(O)=CN1c1ccc(Cc2nccs2)cc1O.
What is the InChIKey of 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is TWRRHJLCIOVGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S2/c16-10-5-8(6-12-13-3-4-20-12)1-2-9(10)15-7-11(17)14-21(15,18)19/h1-5,7,14,16-17H,6H2.
What are the key properties of 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 325.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-4-(1,3-thiazol-2-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 91016800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).