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

C10H9N3O2S — CID 114912815

IUPAC3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
SMILESCc1c(O)cccc1C(=O)Nc1cnns1
InChIInChI=1S/C10H9N3O2S/c1-6-7(3-2-4-8(6)14)10(15)12-9-5-11-13-16-9/h2-5,14H,1H3,(H,12,15)
InChIKeyKQNPRSNBTLHBAK-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.80
Rot. Bonds2

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

3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide (PubChem CID 114912815) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
PubChem CID114912815
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
SMILESCc1c(O)cccc1C(=O)Nc1cnns1
InChIInChI=1S/C10H9N3O2S/c1-6-7(3-2-4-8(6)14)10(15)12-9-5-11-13-16-9/h2-5,14H,1H3,(H,12,15)
InChIKeyKQNPRSNBTLHBAK-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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Related Compounds

2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912821
2-hydroxy-3-methoxy-N-(thiadiazol-5-yl)benzamide
CID 114912813
4-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 103282577
2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914439
3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914426
N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide
CID 65215255
3-fluoro-2-(propylamino)-N-(thiadiazol-5-yl)benzamide
CID 114914162
4-hydroxy-N-(thiadiazol-5-yl)benzamide
CID 114912827
(E)-3-[4-(thiadiazol-5-ylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 114913989
3-amino-N-(thiadiazol-5-yl)benzamide
CID 114911458
N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide (CID 114912815) is 3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide is Cc1c(O)cccc1C(=O)Nc1cnns1.
What is the InChIKey of 3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide?
The InChIKey is KQNPRSNBTLHBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-7(3-2-4-8(6)14)10(15)12-9-5-11-13-16-9/h2-5,14H,1H3,(H,12,15).
What are the key properties of 3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide?
3-hydroxy-2-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 3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114912815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).