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

C10H12BrN3OS — CID 106856395

IUPAC2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nnc(-c2ccoc2Br)s1
InChIInChI=1S/C10H12BrN3OS/c1-2-12-5-3-8-13-14-10(16-8)7-4-6-15-9(7)11/h4,6,12H,2-3,5H2,1H3
InChIKeyOHGCPZYVMIESRK-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.71
Rot. Bonds5

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

2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine (PubChem CID 106856395) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
PubChem CID106856395
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nnc(-c2ccoc2Br)s1
InChIInChI=1S/C10H12BrN3OS/c1-2-12-5-3-8-13-14-10(16-8)7-4-6-15-9(7)11/h4,6,12H,2-3,5H2,1H3
InChIKeyOHGCPZYVMIESRK-UHFFFAOYSA-N
XLogP2.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 106856379
N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 106856384
1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 106856382
2-[5-(3-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 114020288
N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114823828
2-[5-(3-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 114025394
3-[5-(2-bromo-5-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 81116623
2-[5-(3-chloro-4-iodophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 103213370
N-[2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81478434
3-[5-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 81306922
N-[2-[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 107942038
N-[[5-(2-bromo-5-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 81117037

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine (CID 106856395) is 2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine is CCNCCc1nnc(-c2ccoc2Br)s1.
What is the InChIKey of 2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
The InChIKey is OHGCPZYVMIESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-2-12-5-3-8-13-14-10(16-8)7-4-6-15-9(7)11/h4,6,12H,2-3,5H2,1H3.
What are the key properties of 2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine?
2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine has a molecular weight of 302.20 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 106856395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).