5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine

C9H11N3O2S — CID 80607754

IUPAC5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(COCc2ccco2)s1
InChIInChI=1S/C9H11N3O2S/c1-10-9-12-11-8(15-9)6-13-5-7-3-2-4-14-7/h2-4H,5-6H2,1H3,(H,10,12)
InChIKeyLPDISQOEXBYYDK-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.89
Rot. Bonds5

About 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607754) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80607754
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(COCc2ccco2)s1
InChIInChI=1S/C9H11N3O2S/c1-10-9-12-11-8(15-9)6-13-5-7-3-2-4-14-7/h2-4H,5-6H2,1H3,(H,10,12)
InChIKeyLPDISQOEXBYYDK-UHFFFAOYSA-N
XLogP1.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

butane;ethane;2-(ethoxymethyl)furan
CID 143895142
N-propyl-5-(thiophen-2-ylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80614537
N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 74767785
N-ethyl-4-(furan-2-ylmethoxymethyl)thiadiazol-5-amine
CID 62195798
ethane;2-(methoxymethyl)furan
CID 143640700
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
furan-2-ylmethoxy-[[[furan-2-ylmethoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 70907109
triethyl(furan-2-ylmethoxy)silane
CID 11435807
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62443693
2-(fluoromethoxymethyl)furan
CID 143116843
[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443694
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073492

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 80607754) is 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(COCc2ccco2)s1.
What is the InChIKey of 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LPDISQOEXBYYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-10-9-12-11-8(15-9)6-13-5-7-3-2-4-14-7/h2-4H,5-6H2,1H3,(H,10,12).
What are the key properties of 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 225.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).