1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine

C9H11N3OS — CID 103992217

IUPAC1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNCc2ccoc2)s1
InChIInChI=1S/C9H11N3OS/c1-7-11-12-9(14-7)5-10-4-8-2-3-13-6-8/h2-3,6,10H,4-5H2,1H3
InChIKeyHMDRFDOFZOSBCX-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.73
Rot. Bonds4

About 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine

1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (PubChem CID 103992217) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
PubChem CID103992217
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNCc2ccoc2)s1
InChIInChI=1S/C9H11N3OS/c1-7-11-12-9(14-7)5-10-4-8-2-3-13-6-8/h2-3,6,10H,4-5H2,1H3
InChIKeyHMDRFDOFZOSBCX-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (CID 103992217) is 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is Cc1nnc(CNCc2ccoc2)s1.
What is the InChIKey of 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The InChIKey is HMDRFDOFZOSBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-7-11-12-9(14-7)5-10-4-8-2-3-13-6-8/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine has a molecular weight of 209.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103992217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).