3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine

C10H10BrN3S — CID 65268631

IUPAC3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ccccc2Br)ns1
InChIInChI=1S/C10H10BrN3S/c1-2-12-10-13-9(14-15-10)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyYPKJTWJBQZABRQ-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.40
Rot. Bonds3

About 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine

3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268631) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65268631
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ccccc2Br)ns1
InChIInChI=1S/C10H10BrN3S/c1-2-12-10-13-9(14-15-10)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyYPKJTWJBQZABRQ-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine (CID 65268631) is 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine is CCNc1nc(-c2ccccc2Br)ns1.
What is the InChIKey of 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YPKJTWJBQZABRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-2-12-10-13-9(14-15-10)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 284.18 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).