N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide

C13H15N3O2S — CID 708618

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCCc1nnc(NC(=O)COc2ccc(C)cc2)s1
InChIInChI=1S/C13H15N3O2S/c1-3-12-15-16-13(19-12)14-11(17)8-18-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyNRCURYFWWYQULV-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.43
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 708618) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
PubChem CID708618
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCCc1nnc(NC(=O)COc2ccc(C)cc2)s1
InChIInChI=1S/C13H15N3O2S/c1-3-12-15-16-13(19-12)14-11(17)8-18-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,14,16,17)
InChIKeyNRCURYFWWYQULV-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide (CID 708618) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide is CCc1nnc(NC(=O)COc2ccc(C)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is NRCURYFWWYQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-12-15-16-13(19-12)14-11(17)8-18-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,14,16,17).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 277.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 708618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).