3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide

C17H16N4O2S2 — CID 55880416

IUPAC3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1nc(-c2ccccc2)ns1)c1cccs1
InChIInChI=1S/C17H16N4O2S2/c1-11(22)18-13(14-8-5-9-24-14)10-15(23)19-17-20-16(21-25-17)12-6-3-2-4-7-12/h2-9,13H,10H2,1H3,(H,18,22)(H,19,20,21,23)
InChIKeyDHOXOEVPNLAONO-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.47
Rot. Bonds6

About 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide

3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide (PubChem CID 55880416) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide
PubChem CID55880416
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1nc(-c2ccccc2)ns1)c1cccs1
InChIInChI=1S/C17H16N4O2S2/c1-11(22)18-13(14-8-5-9-24-14)10-15(23)19-17-20-16(21-25-17)12-6-3-2-4-7-12/h2-9,13H,10H2,1H3,(H,18,22)(H,19,20,21,23)
InChIKeyDHOXOEVPNLAONO-UHFFFAOYSA-N
XLogP3.47
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide (CID 55880416) is 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1nc(-c2ccccc2)ns1)c1cccs1.
What is the InChIKey of 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is DHOXOEVPNLAONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-11(22)18-13(14-8-5-9-24-14)10-15(23)19-17-20-16(21-25-17)12-6-3-2-4-7-12/h2-9,13H,10H2,1H3,(H,18,22)(H,19,20,21,23).
What are the key properties of 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide?
3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 372.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55880416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).