N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine

C8H9N3OS — CID 126997747

IUPACN-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1occc1CNc1ncns1
InChIInChI=1S/C8H9N3OS/c1-6-7(2-3-12-6)4-9-8-10-5-11-13-8/h2-3,5H,4H2,1H3,(H,9,10,11)
InChIKeyOMIFDUNAEIYNEC-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds3

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

N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 126997747) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID126997747
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC NameN-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1occc1CNc1ncns1
InChIInChI=1S/C8H9N3OS/c1-6-7(2-3-12-6)4-9-8-10-5-11-13-8/h2-3,5H,4H2,1H3,(H,9,10,11)
InChIKeyOMIFDUNAEIYNEC-UHFFFAOYSA-N
XLogP2.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 126997747) is N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1occc1CNc1ncns1.
What is the InChIKey of N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is OMIFDUNAEIYNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-6-7(2-3-12-6)4-9-8-10-5-11-13-8/h2-3,5H,4H2,1H3,(H,9,10,11).
What are the key properties of N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 195.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylfuran-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126997747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).