1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine

C9H11N3OS — CID 83702683

IUPAC1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(CC(N)c2ccco2)s1
InChIInChI=1S/C9H11N3OS/c1-6-11-12-9(14-6)5-7(10)8-3-2-4-13-8/h2-4,7H,5,10H2,1H3
InChIKeyDVLSIOZBPCTKGP-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.68
Rot. Bonds3

About 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine

1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (PubChem CID 83702683) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
PubChem CID83702683
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(CC(N)c2ccco2)s1
InChIInChI=1S/C9H11N3OS/c1-6-11-12-9(14-6)5-7(10)8-3-2-4-13-8/h2-4,7H,5,10H2,1H3
InChIKeyDVLSIOZBPCTKGP-UHFFFAOYSA-N
XLogP1.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The IUPAC name of 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (CID 83702683) is 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The canonical SMILES for 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is Cc1nnc(CC(N)c2ccco2)s1.
What is the InChIKey of 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The InChIKey is DVLSIOZBPCTKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-11-12-9(14-6)5-7(10)8-3-2-4-13-8/h2-4,7H,5,10H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine has a molecular weight of 209.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is sourced from PubChem (CID 83702683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).