2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C10H9N3O2S — CID 578064

IUPAC2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C10H9N3O2S/c1-6-12-13-10(16-6)11-9(15)7-4-2-3-5-8(7)14/h2-5,14H,1H3,(H,11,13,15)
InChIKeyVLCRKESOODFRFQ-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.80
Rot. Bonds2

About 2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 578064) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID578064
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C10H9N3O2S/c1-6-12-13-10(16-6)11-9(15)7-4-2-3-5-8(7)14/h2-5,14H,1H3,(H,11,13,15)
InChIKeyVLCRKESOODFRFQ-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-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1121149
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
Fak-IN-8
CID 60150400
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750667
2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 871221
2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1500051
2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3999252
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70681230
5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70685420
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide
CID 2576449
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 746125
2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 695190

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 578064) is 2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccccc2O)s1.
What is the InChIKey of 2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VLCRKESOODFRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-12-13-10(16-6)11-9(15)7-4-2-3-5-8(7)14/h2-5,14H,1H3,(H,11,13,15).
What are the key properties of 2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2-hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-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-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 578064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).