2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide

C16H20N4O2S — CID 21359124

IUPAC2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide
SMILESCc1nsc(NC(=O)C(Cc2ccccc2)NC(=O)C(C)C)n1
InChIInChI=1S/C16H20N4O2S/c1-10(2)14(21)18-13(9-12-7-5-4-6-8-12)15(22)19-16-17-11(3)20-23-16/h4-8,10,13H,9H2,1-3H3,(H,18,21)(H,17,19,20,22)
InChIKeyUWZDVEGDZIPUFI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.17
Rot. Bonds6

About 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide

2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide (PubChem CID 21359124) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide
PubChem CID21359124
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide
SMILESCc1nsc(NC(=O)C(Cc2ccccc2)NC(=O)C(C)C)n1
InChIInChI=1S/C16H20N4O2S/c1-10(2)14(21)18-13(9-12-7-5-4-6-8-12)15(22)19-16-17-11(3)20-23-16/h4-8,10,13H,9H2,1-3H3,(H,18,21)(H,17,19,20,22)
InChIKeyUWZDVEGDZIPUFI-UHFFFAOYSA-N
XLogP2.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide (CID 21359124) is 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide is Cc1nsc(NC(=O)C(Cc2ccccc2)NC(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide?
The InChIKey is UWZDVEGDZIPUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(2)14(21)18-13(9-12-7-5-4-6-8-12)15(22)19-16-17-11(3)20-23-16/h4-8,10,13H,9H2,1-3H3,(H,18,21)(H,17,19,20,22).
What are the key properties of 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide?
2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide has a molecular weight of 332.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-oxo-3-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 21359124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).