2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C16H13N3O2S — CID 70683312

IUPAC2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccccc3O)s2)cc1
InChIInChI=1S/C16H13N3O2S/c1-10-6-8-11(9-7-10)15-18-19-16(22-15)17-14(21)12-4-2-3-5-13(12)20/h2-9,20H,1H3,(H,17,19,21)
InChIKeyDJKCNYUORXXBII-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds3

About 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 70683312) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID70683312
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccccc3O)s2)cc1
InChIInChI=1S/C16H13N3O2S/c1-10-6-8-11(9-7-10)15-18-19-16(22-15)17-14(21)12-4-2-3-5-13(12)20/h2-9,20H,1H3,(H,17,19,21)
InChIKeyDJKCNYUORXXBII-UHFFFAOYSA-N
XLogP3.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 70683312) is 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1ccc(-c2nnc(NC(=O)c3ccccc3O)s2)cc1.
What is the InChIKey of 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is DJKCNYUORXXBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-10-6-8-11(9-7-10)15-18-19-16(22-15)17-14(21)12-4-2-3-5-13(12)20/h2-9,20H,1H3,(H,17,19,21).
What are the key properties of 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 70683312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).