3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide

C13H16N4O2S2 — CID 122154306

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide
SMILESCN(C)c1nnc(SCC(O)(C(N)=O)c2ccccc2)s1
InChIInChI=1S/C13H16N4O2S2/c1-17(2)11-15-16-12(21-11)20-8-13(19,10(14)18)9-6-4-3-5-7-9/h3-7,19H,8H2,1-2H3,(H2,14,18)
InChIKeyLJHGKIWAOFGXLY-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.07
Rot. Bonds6

About 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide (PubChem CID 122154306) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide
PubChem CID122154306
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide
SMILESCN(C)c1nnc(SCC(O)(C(N)=O)c2ccccc2)s1
InChIInChI=1S/C13H16N4O2S2/c1-17(2)11-15-16-12(21-11)20-8-13(19,10(14)18)9-6-4-3-5-7-9/h3-7,19H,8H2,1-2H3,(H2,14,18)
InChIKeyLJHGKIWAOFGXLY-UHFFFAOYSA-N
XLogP1.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide (CID 122154306) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide is CN(C)c1nnc(SCC(O)(C(N)=O)c2ccccc2)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide?
The InChIKey is LJHGKIWAOFGXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-17(2)11-15-16-12(21-11)20-8-13(19,10(14)18)9-6-4-3-5-7-9/h3-7,19H,8H2,1-2H3,(H2,14,18).
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide has a molecular weight of 324.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 122154306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).