5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine

C9H11BrN4OS — CID 79002925

IUPAC5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1noc(C)c1C(C)Nc1nnc(Br)s1
InChIInChI=1S/C9H11BrN4OS/c1-4(7-5(2)14-15-6(7)3)11-9-13-12-8(10)16-9/h4H,1-3H3,(H,11,13)
InChIKeyVNHUYNKTIGIYLS-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.08
Rot. Bonds3

About 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 79002925) has the molecular formula C9H11BrN4OS and a molecular weight of 303.19 g/mol. Its IUPAC name is 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID79002925
Molecular FormulaC9H11BrN4OS
Molecular Weight303.19 g/mol
Exact Mass301.98
IUPAC Name5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1noc(C)c1C(C)Nc1nnc(Br)s1
InChIInChI=1S/C9H11BrN4OS/c1-4(7-5(2)14-15-6(7)3)11-9-13-12-8(10)16-9/h4H,1-3H3,(H,11,13)
InChIKeyVNHUYNKTIGIYLS-UHFFFAOYSA-N
XLogP3.08
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 79002925) is 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1noc(C)c1C(C)Nc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VNHUYNKTIGIYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4OS/c1-4(7-5(2)14-15-6(7)3)11-9-13-12-8(10)16-9/h4H,1-3H3,(H,11,13).
What are the key properties of 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 303.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79002925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).