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

C13H15N3O2S2 — CID 2701522

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCCSc1nnc(NC(=O)Cc2ccccc2OC)s1
InChIInChI=1S/C13H15N3O2S2/c1-3-19-13-16-15-12(20-13)14-11(17)8-9-6-4-5-7-10(9)18-2/h4-7H,3,8H2,1-2H3,(H,14,15,17)
InChIKeyKBDSAKLDINFEEC-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.84
Rot. Bonds6

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 2701522) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID2701522
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCCSc1nnc(NC(=O)Cc2ccccc2OC)s1
InChIInChI=1S/C13H15N3O2S2/c1-3-19-13-16-15-12(20-13)14-11(17)8-9-6-4-5-7-10(9)18-2/h4-7H,3,8H2,1-2H3,(H,14,15,17)
InChIKeyKBDSAKLDINFEEC-UHFFFAOYSA-N
XLogP2.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide (CID 2701522) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide is CCSc1nnc(NC(=O)Cc2ccccc2OC)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is KBDSAKLDINFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-3-19-13-16-15-12(20-13)14-11(17)8-9-6-4-5-7-10(9)18-2/h4-7H,3,8H2,1-2H3,(H,14,15,17).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 309.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2701522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).