2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide

C13H14BrN3O2S — CID 19202954

IUPAC2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2nncs2)c(Br)c1
InChIInChI=1S/C13H14BrN3O2S/c1-2-3-9-4-5-11(10(14)6-9)19-7-12(18)16-13-17-15-8-20-13/h4-6,8H,2-3,7H2,1H3,(H,16,17,18)
InChIKeyNTSYFSYYWARPNA-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.27
Rot. Bonds6

About 2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 19202954) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID19202954
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2nncs2)c(Br)c1
InChIInChI=1S/C13H14BrN3O2S/c1-2-3-9-4-5-11(10(14)6-9)19-7-12(18)16-13-17-15-8-20-13/h4-6,8H,2-3,7H2,1H3,(H,16,17,18)
InChIKeyNTSYFSYYWARPNA-UHFFFAOYSA-N
XLogP3.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369309
2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201701
2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoic acid
CID 53264106
2-(2-bromo-4-propylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202395
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
2-(2-bromo-4-chlorophenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202970
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
2-(2-bromo-4-propylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 19201692
N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
CID 19202464
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19202853
2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 19202140
2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19178770

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 19202954) is 2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is CCCc1ccc(OCC(=O)Nc2nncs2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NTSYFSYYWARPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-2-3-9-4-5-11(10(14)6-9)19-7-12(18)16-13-17-15-8-20-13/h4-6,8H,2-3,7H2,1H3,(H,16,17,18).
What are the key properties of 2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 356.25 g/mol, XLogP of 3.27, 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-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 19202954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).