2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C20H21N3O2S — CID 27991360

IUPAC2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C20H21N3O2S/c1-20(2,3)15-9-11-16(12-10-15)25-13-17(24)21-19-23-22-18(26-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,23,24)
InChIKeyABDKIXNJFJEXLK-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.52
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 27991360) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID27991360
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C20H21N3O2S/c1-20(2,3)15-9-11-16(12-10-15)25-13-17(24)21-19-23-22-18(26-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,23,24)
InChIKeyABDKIXNJFJEXLK-UHFFFAOYSA-N
XLogP4.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100708318
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide
CID 56971047
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196914
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
2-(4-tert-butylphenoxy)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 3319268

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 27991360) is 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ABDKIXNJFJEXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-20(2,3)15-9-11-16(12-10-15)25-13-17(24)21-19-23-22-18(26-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,23,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 27991360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).