2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide

C16H13N3O3S — CID 154751637

IUPAC2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccccc2)s1)c1c(O)cccc1O
InChIInChI=1S/C16H13N3O3S/c20-11-7-4-8-12(21)14(11)15(22)17-9-13-18-19-16(23-13)10-5-2-1-3-6-10/h1-8,20-21H,9H2,(H,17,22)
InChIKeyGNNUYFDNOMOTAK-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.55
Rot. Bonds4

About 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide

2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide (PubChem CID 154751637) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
PubChem CID154751637
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nnc(-c2ccccc2)s1)c1c(O)cccc1O
InChIInChI=1S/C16H13N3O3S/c20-11-7-4-8-12(21)14(11)15(22)17-9-13-18-19-16(23-13)10-5-2-1-3-6-10/h1-8,20-21H,9H2,(H,17,22)
InChIKeyGNNUYFDNOMOTAK-UHFFFAOYSA-N
XLogP2.55
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide (CID 154751637) is 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide is O=C(NCc1nnc(-c2ccccc2)s1)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
The InChIKey is GNNUYFDNOMOTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-11-7-4-8-12(21)14(11)15(22)17-9-13-18-19-16(23-13)10-5-2-1-3-6-10/h1-8,20-21H,9H2,(H,17,22).
What are the key properties of 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide?
2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide has a molecular weight of 327.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 154751637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).