(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide

C13H15N3O2S — CID 129199722

IUPAC(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
SMILESCOC[C@@H](C(=O)Nc1nnc(C)s1)c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-9-15-16-13(19-9)14-12(17)11(8-18-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,14,16,17)/t11-/m1/s1
InChIKeyXXNMCIBDBKCCAF-LLVKDONJSA-N
MW277.35 g/mol
LogP2.22
Rot. Bonds5

About (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide

(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide (PubChem CID 129199722) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
PubChem CID129199722
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
SMILESCOC[C@@H](C(=O)Nc1nnc(C)s1)c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-9-15-16-13(19-9)14-12(17)11(8-18-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,14,16,17)/t11-/m1/s1
InChIKeyXXNMCIBDBKCCAF-LLVKDONJSA-N
XLogP2.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 2218642
3-methoxy-N-[5-[2-[2-[5-[(3-methoxy-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(6-methylcyclohexa-2,4-dien-1-yl)propanamide
CID 123928031
(2R)-3-methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]propanamide
CID 129161508
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 2972072
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 51958231
(2S)-N-[5-[[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-3-methoxy-2-phenylpropanamide
CID 163204263
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
ethyl 2-[[5-(2-phenylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 42993505
1-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 94031299
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 3430274
ethyl (3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoate
CID 94782815
[3-[[5-[4-[5-[[3-[(2S)-2-amino-3-methylbutanoyl]oxy-2-phenylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxo-2-phenylpropyl] (2S)-2-amino-3-methylbutanoate;methane;sulfane
CID 158510911

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide?
The IUPAC name of (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide (CID 129199722) is (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide.
What is the SMILES notation for (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide?
The canonical SMILES for (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide is COC[C@@H](C(=O)Nc1nnc(C)s1)c1ccccc1.
What is the InChIKey of (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide?
The InChIKey is XXNMCIBDBKCCAF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-15-16-13(19-9)14-12(17)11(8-18-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,14,16,17)/t11-/m1/s1.
What are the key properties of (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide?
(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 129199722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).