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

C10H13N3OS — CID 105146718

IUPACN-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cnsn1
InChIInChI=1S/C10H13N3OS/c1-2-4-11-10(8-3-5-14-7-8)9-6-12-15-13-9/h3,5-7,10-11H,2,4H2,1H3
InChIKeyLGBDGTOYZWZLGB-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.22
Rot. Bonds5

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

N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (PubChem CID 105146718) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
PubChem CID105146718
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cnsn1
InChIInChI=1S/C10H13N3OS/c1-2-4-11-10(8-3-5-14-7-8)9-6-12-15-13-9/h3,5-7,10-11H,2,4H2,1H3
InChIKeyLGBDGTOYZWZLGB-UHFFFAOYSA-N
XLogP2.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.22
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]ethanamine
CID 105146743
N-[2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]propan-1-amine
CID 105177705
N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105141684
N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105097727
N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105180181
N-[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141468
N-[furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783247
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
N-[(7-chloro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186994
N-[(7-fluoro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186506
N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105172512
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (CID 105146718) is N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)c1cnsn1.
What is the InChIKey of N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The InChIKey is LGBDGTOYZWZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-4-11-10(8-3-5-14-7-8)9-6-12-15-13-9/h3,5-7,10-11H,2,4H2,1H3.
What are the key properties of N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine has a molecular weight of 223.30 g/mol, XLogP of 2.22, 5 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]propan-1-amine is sourced from PubChem (CID 105146718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).