4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid

C6H8BrN3O2S — CID 84711525

IUPAC4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid
SMILESNC(CCC(=O)O)c1nnsc1Br
InChIInChI=1S/C6H8BrN3O2S/c7-6-5(9-10-13-6)3(8)1-2-4(11)12/h3H,1-2,8H2,(H,11,12)
InChIKeyDIBABAIRUMVVIJ-UHFFFAOYSA-N
MW266.12 g/mol
LogP1.17
Rot. Bonds4

About 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid

4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid (PubChem CID 84711525) has the molecular formula C6H8BrN3O2S and a molecular weight of 266.12 g/mol. Its IUPAC name is 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid
PubChem CID84711525
Molecular FormulaC6H8BrN3O2S
Molecular Weight266.12 g/mol
Exact Mass264.95
IUPAC Name4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid
SMILESNC(CCC(=O)O)c1nnsc1Br
InChIInChI=1S/C6H8BrN3O2S/c7-6-5(9-10-13-6)3(8)1-2-4(11)12/h3H,1-2,8H2,(H,11,12)
InChIKeyDIBABAIRUMVVIJ-UHFFFAOYSA-N
XLogP1.17
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(5-bromothiadiazol-4-yl)propanoic acid
CID 84707526
3-(5-bromothiadiazol-4-yl)propanoic acid
CID 84699845
4-amino-4-(4-chloro-1,2-thiazol-5-yl)butanoic acid
CID 84686276
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
4-amino-4-(5-bromo-3-pyridinyl)butanoic acid
CID 84709705
4-amino-4-(1,3-thiazol-2-yl)butanoic acid
CID 82602307
4-amino-4-(1,3-thiazol-4-yl)butanoic acid
CID 82602298
2-amino-1-(5-bromothiadiazol-4-yl)propan-1-one
CID 84699223
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84806943
4-amino-4-(3-bromo-2-fluoro-4-hydroxyphenyl)butanoic acid
CID 117471402

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid?
The IUPAC name of 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid (CID 84711525) is 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid is NC(CCC(=O)O)c1nnsc1Br.
What is the InChIKey of 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid?
The InChIKey is DIBABAIRUMVVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2S/c7-6-5(9-10-13-6)3(8)1-2-4(11)12/h3H,1-2,8H2,(H,11,12).
What are the key properties of 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid?
4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid has a molecular weight of 266.12 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(5-bromothiadiazol-4-yl)butanoic acid is sourced from PubChem (CID 84711525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).