N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine

C10H12BrN3OS — CID 106856384

IUPACN-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2ccoc2Br)s1
InChIInChI=1S/C10H12BrN3OS/c1-2-4-12-6-8-13-14-10(16-8)7-3-5-15-9(7)11/h3,5,12H,2,4,6H2,1H3
InChIKeyWOQUXPNWHBXVCZ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.06
Rot. Bonds5

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

N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine (PubChem CID 106856384) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
PubChem CID106856384
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC NameN-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2ccoc2Br)s1
InChIInChI=1S/C10H12BrN3OS/c1-2-4-12-6-8-13-14-10(16-8)7-3-5-15-9(7)11/h3,5,12H,2,4,6H2,1H3
InChIKeyWOQUXPNWHBXVCZ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 106856382
2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 106856395
N-[[5-(2-bromo-3-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 114024103
N-[3-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 106856379
N-[[5-(6-bromonaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 115354613
N-[[5-(2-bromo-5-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 81117037
N-[[5-(2,4-dibromophenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 107942017
N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 106690501
N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
CID 106886915
N-[2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81478434
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole
CID 106690457

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine (CID 106856384) is N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine is CCCNCc1nnc(-c2ccoc2Br)s1.
What is the InChIKey of N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is WOQUXPNWHBXVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-2-4-12-6-8-13-14-10(16-8)7-3-5-15-9(7)11/h3,5,12H,2,4,6H2,1H3.
What are the key properties of N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 302.20 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106856384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).