2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid

C10H7BrN2O3S — CID 138684021

IUPAC2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Br)cc1-c1csnn1
InChIInChI=1S/C10H7BrN2O3S/c11-6-1-2-9(16-4-10(14)15)7(3-6)8-5-17-13-12-8/h1-3,5H,4H2,(H,14,15)
InChIKeyZSUPOYZMSAIEIV-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.43
Rot. Bonds4

About 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid

2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid (PubChem CID 138684021) has the molecular formula C10H7BrN2O3S and a molecular weight of 315.15 g/mol. Its IUPAC name is 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid
PubChem CID138684021
Molecular FormulaC10H7BrN2O3S
Molecular Weight315.15 g/mol
Exact Mass313.94
IUPAC Name2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Br)cc1-c1csnn1
InChIInChI=1S/C10H7BrN2O3S/c11-6-1-2-9(16-4-10(14)15)7(3-6)8-5-17-13-12-8/h1-3,5H,4H2,(H,14,15)
InChIKeyZSUPOYZMSAIEIV-UHFFFAOYSA-N
XLogP2.43
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]propanoic acid
CID 138683968
2-(4-bromo-2-ethynylphenoxy)acetic acid
CID 138686811
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
2-(5-bromo-3-oxoindol-2-yl)oxyacetic acid
CID 57161620
2-(5-bromo-2-ethylphenoxy)acetic acid
CID 151411352
2-[4-bromo-2-(nitrosomethyl)phenoxy]acetic acid
CID 91896517
2-[4-bromo-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 11575105
2-(4-bromo-2-cyclohexylphenoxy)acetic acid
CID 160908207
2-[4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 19617744
2-[4-(6-bromo-1,2-benzoxazol-3-yl)-2,3-dichlorophenoxy]acetic acid
CID 20533977
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
2-[4-bromo-2-[1-(3-chlorophenyl)-5-(2,3-dimethoxyphenyl)pyrazol-3-yl]phenoxy]acetic acid
CID 110077468

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid (CID 138684021) is 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid is O=C(O)COc1ccc(Br)cc1-c1csnn1.
What is the InChIKey of 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid?
The InChIKey is ZSUPOYZMSAIEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3S/c11-6-1-2-9(16-4-10(14)15)7(3-6)8-5-17-13-12-8/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid?
2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid has a molecular weight of 315.15 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(thiadiazol-4-yl)phenoxy]acetic acid is sourced from PubChem (CID 138684021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).