N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine

C9H11N3OS — CID 105146743

IUPACN-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1cnsn1
InChIInChI=1S/C9H11N3OS/c1-2-10-9(7-3-4-13-6-7)8-5-11-14-12-8/h3-6,9-10H,2H2,1H3
InChIKeyBZRWVFGMTLEJIL-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.83
Rot. Bonds4

About N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine

N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine (PubChem CID 105146743) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
PubChem CID105146743
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)c1cnsn1
InChIInChI=1S/C9H11N3OS/c1-2-10-9(7-3-4-13-6-7)8-5-11-14-12-8/h3-6,9-10H,2H2,1H3
InChIKeyBZRWVFGMTLEJIL-UHFFFAOYSA-N
XLogP1.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105146718
N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105145630
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105143439
N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105177705
N-[furan-3-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104639
N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115855580
N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine
CID 105146680
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
N-[furan-3-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488095
N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105168600
N-[furan-3-yl(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360300

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine (CID 105146743) is N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine is CCNC(c1ccoc1)c1cnsn1.
What is the InChIKey of N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The InChIKey is BZRWVFGMTLEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-2-10-9(7-3-4-13-6-7)8-5-11-14-12-8/h3-6,9-10H,2H2,1H3.
What are the key properties of N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine has a molecular weight of 209.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105146743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).