5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

C6H5BrN4OS — CID 106421779

IUPAC5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(NCc2ccno2)s1
InChIInChI=1S/C6H5BrN4OS/c7-5-10-11-6(13-5)8-3-4-1-2-9-12-4/h1-2H,3H2,(H,8,11)
InChIKeyMTIIBDNBLBSRLS-UHFFFAOYSA-N
MW261.10 g/mol
LogP1.90
Rot. Bonds3

About 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106421779) has the molecular formula C6H5BrN4OS and a molecular weight of 261.10 g/mol. Its IUPAC name is 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106421779
Molecular FormulaC6H5BrN4OS
Molecular Weight261.10 g/mol
Exact Mass259.94
IUPAC Name5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(NCc2ccno2)s1
InChIInChI=1S/C6H5BrN4OS/c7-5-10-11-6(13-5)8-3-4-1-2-9-12-4/h1-2H,3H2,(H,8,11)
InChIKeyMTIIBDNBLBSRLS-UHFFFAOYSA-N
XLogP1.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 106421779) is 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine is Brc1nnc(NCc2ccno2)s1.
What is the InChIKey of 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MTIIBDNBLBSRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4OS/c7-5-10-11-6(13-5)8-3-4-1-2-9-12-4/h1-2H,3H2,(H,8,11).
What are the key properties of 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 261.10 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106421779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).