N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine

C11H15N3OS — CID 114823828

IUPACN-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(-c2coc(C)c2)s1
InChIInChI=1S/C11H15N3OS/c1-3-12-5-4-10-13-14-11(16-10)9-6-8(2)15-7-9/h6-7,12H,3-5H2,1-2H3
InChIKeyZUHTWUKNEOABKY-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.26
Rot. Bonds5

About N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine

N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 114823828) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID114823828
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(-c2coc(C)c2)s1
InChIInChI=1S/C11H15N3OS/c1-3-12-5-4-10-13-14-11(16-10)9-6-8(2)15-7-9/h6-7,12H,3-5H2,1-2H3
InChIKeyZUHTWUKNEOABKY-UHFFFAOYSA-N
XLogP2.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine 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

(1R)-1-(2,5-dimethylfuran-3-yl)-N-[(1S)-1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]ethanamine
CID 100684661
(1R)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]ethanamine
CID 100684671
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1S)-1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]ethanamine
CID 100684679
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]ethanamine
CID 100684689
1-(2,5-dimethylfuran-3-yl)-N-[1-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]ethanamine
CID 121518723
4-[5-(2-Furyl)-1,3,4-thiadiazol-2-yl]piperidine
CID 33680281
5-(5-Methylfuran-3-yl)-1,3,4-thiadiazol-2-amine
CID 23463065
2-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,3,4-thiadiazole
CID 33680309
2-(furan-2-yl)-5-[(3R)-piperidin-3-yl]-1,3,4-thiadiazole
CID 33680314
3-[5-(2-Furyl)-1,3,4-thiadiazol-2-yl]piperidine
CID 45496751
2-[5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 64982952
2-(1-Chloroethyl)-5-(2-methylfuran-3-yl)-1,3,4-thiadiazole
CID 65693782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 114823828) is N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine is CCNCCc1nnc(-c2coc(C)c2)s1.
What is the InChIKey of N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is ZUHTWUKNEOABKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-12-5-4-10-13-14-11(16-10)9-6-8(2)15-7-9/h6-7,12H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 237.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 114823828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).