2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C13H13BrClN3O2S — CID 19202970

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)COc2ccc(Cl)cc2Br)s1
InChIInChI=1S/C13H13BrClN3O2S/c1-2-3-12-17-18-13(21-12)16-11(19)7-20-10-5-4-8(15)6-9(10)14/h4-6H,2-3,7H2,1H3,(H,16,18,19)
InChIKeyNGOFKQGOMGYYJN-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.92
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 19202970) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID19202970
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)COc2ccc(Cl)cc2Br)s1
InChIInChI=1S/C13H13BrClN3O2S/c1-2-3-12-17-18-13(21-12)16-11(19)7-20-10-5-4-8(15)6-9(10)14/h4-6H,2-3,7H2,1H3,(H,16,18,19)
InChIKeyNGOFKQGOMGYYJN-UHFFFAOYSA-N
XLogP3.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109772
2-(4-bromo-2-ethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202963
2-(2-bromo-4-phenylphenoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178695
2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3158232
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
2-(2-propan-2-ylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178842
2-(2-formylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3477268
N-(1,3-benzothiazol-2-yl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 1289042
5-[(2-bromo-4-chlorophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80608490
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 19202970) is 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)COc2ccc(Cl)cc2Br)s1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NGOFKQGOMGYYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c1-2-3-12-17-18-13(21-12)16-11(19)7-20-10-5-4-8(15)6-9(10)14/h4-6H,2-3,7H2,1H3,(H,16,18,19).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 390.69 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 19202970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).