N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C13H15N3OS2 — CID 51235523

IUPACN-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nncs1)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H15N3OS2/c1-10(19-13-16-15-9-18-13)12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17)
InChIKeyWGTVNXSNYLXXDL-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.38
Rot. Bonds6

About N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 51235523) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID51235523
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nncs1)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H15N3OS2/c1-10(19-13-16-15-9-18-13)12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17)
InChIKeyWGTVNXSNYLXXDL-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 8936461
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249
(2R)-N-[(1S)-1-phenylbutyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 29440220
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51141818
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
(2R)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 95287144
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
(2S)-N-(cyclobutylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94193477
N-(2-methylpropylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46803104
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 51235523) is N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CC(Sc1nncs1)C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is WGTVNXSNYLXXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-10(19-13-16-15-9-18-13)12(17)14-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,17).
What are the key properties of N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 293.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 51235523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).