2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide

C10H9N3O2S — CID 114912821

IUPAC2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cnns2)c1O
InChIInChI=1S/C10H9N3O2S/c1-6-3-2-4-7(9(6)14)10(15)12-8-5-11-13-16-8/h2-5,14H,1H3,(H,12,15)
InChIKeyKANUUORJEWKFCN-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.80
Rot. Bonds2

About 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide

2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide (PubChem CID 114912821) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
PubChem CID114912821
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cnns2)c1O
InChIInChI=1S/C10H9N3O2S/c1-6-3-2-4-7(9(6)14)10(15)12-8-5-11-13-16-8/h2-5,14H,1H3,(H,12,15)
InChIKeyKANUUORJEWKFCN-UHFFFAOYSA-N
XLogP1.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide (CID 114912821) is 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide is Cc1cccc(C(=O)Nc2cnns2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide?
The InChIKey is KANUUORJEWKFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-3-2-4-7(9(6)14)10(15)12-8-5-11-13-16-8/h2-5,14H,1H3,(H,12,15).
What are the key properties of 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide?
2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide has a molecular weight of 235.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114912821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).