1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

C8H8BrN3OS — CID 106856382

IUPAC1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2ccoc2Br)s1
InChIInChI=1S/C8H8BrN3OS/c1-10-4-6-11-12-8(14-6)5-2-3-13-7(5)9/h2-3,10H,4H2,1H3
InChIKeyJYPMBKHVSUXJFF-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.28
Rot. Bonds3

About 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine

1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (PubChem CID 106856382) has the molecular formula C8H8BrN3OS and a molecular weight of 274.14 g/mol. Its IUPAC name is 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
PubChem CID106856382
Molecular FormulaC8H8BrN3OS
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC Name1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2ccoc2Br)s1
InChIInChI=1S/C8H8BrN3OS/c1-10-4-6-11-12-8(14-6)5-2-3-13-7(5)9/h2-3,10H,4H2,1H3
InChIKeyJYPMBKHVSUXJFF-UHFFFAOYSA-N
XLogP2.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (CID 106856382) is 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2ccoc2Br)s1.
What is the InChIKey of 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The InChIKey is JYPMBKHVSUXJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c1-10-4-6-11-12-8(14-6)5-2-3-13-7(5)9/h2-3,10H,4H2,1H3.
What are the key properties of 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine has a molecular weight of 274.14 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106856382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).