2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C13H13Br2N3O2S — CID 19171299

IUPAC2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)COc2ccc(Br)cc2Br)s1
InChIInChI=1S/C13H13Br2N3O2S/c1-7(2)12-17-18-13(21-12)16-11(19)6-20-10-4-3-8(14)5-9(10)15/h3-5,7H,6H2,1-2H3,(H,16,18,19)
InChIKeyRRTNWZKBOIWYIV-UHFFFAOYSA-N
MW435.14 g/mol
LogP4.20
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 19171299) has the molecular formula C13H13Br2N3O2S and a molecular weight of 435.14 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID19171299
Molecular FormulaC13H13Br2N3O2S
Molecular Weight435.14 g/mol
Exact Mass432.91
IUPAC Name2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)COc2ccc(Br)cc2Br)s1
InChIInChI=1S/C13H13Br2N3O2S/c1-7(2)12-17-18-13(21-12)16-11(19)6-20-10-4-3-8(14)5-9(10)15/h3-5,7H,6H2,1-2H3,(H,16,18,19)
InChIKeyRRTNWZKBOIWYIV-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dibromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 17477090
2-(2-propan-2-ylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178841
2-(2-bromo-4-propan-2-ylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19219897
2-(2-bromo-4-phenylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196783
4-(2-bromo-4-tert-butylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19202223
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 18093750
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
CID 19217332
2-(2-cyanophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247174
2-(3-methylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247176
2-[4-(4-methylphenyl)phenoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19170983
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-propoxyphenoxy)acetamide
CID 32624003

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 19171299) is 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)COc2ccc(Br)cc2Br)s1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RRTNWZKBOIWYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O2S/c1-7(2)12-17-18-13(21-12)16-11(19)6-20-10-4-3-8(14)5-9(10)15/h3-5,7H,6H2,1-2H3,(H,16,18,19).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 435.14 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 19171299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).