N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide

C13H15N3OS2 — CID 839901

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
SMILESCCSc1nnc(NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C13H15N3OS2/c1-2-18-13-16-15-12(19-13)14-11(17)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15,17)
InChIKeyGLMAORQURRBDJX-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.22
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (PubChem CID 839901) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
PubChem CID839901
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
SMILESCCSc1nnc(NC(=O)CCc2ccccc2)s1
InChIInChI=1S/C13H15N3OS2/c1-2-18-13-16-15-12(19-13)14-11(17)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15,17)
InChIKeyGLMAORQURRBDJX-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

Sulfonamide deriv., 8
CID 44520906
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 803498
N-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 1227914
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 7095467
Acetamide, N-(5-((phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)-
CID 101472
2-(3-Phenylpropionylamino)-1,3,4-thiadiazole-5-sulfonamide
CID 54430554
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 975548
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3120394
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 3158290
2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3254349
N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)pivalamide
CID 4305235

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide (CID 839901) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is CCSc1nnc(NC(=O)CCc2ccccc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is GLMAORQURRBDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-2-18-13-16-15-12(19-13)14-11(17)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15,17).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 293.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 839901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).