4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine

C8H9N3OS2 — CID 62190124

IUPAC4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCc1cccs1
InChIInChI=1S/C8H9N3OS2/c9-8-7(10-11-14-8)5-12-4-6-2-1-3-13-6/h1-3H,4-5,9H2
InChIKeyPQFWHVNTHRSROK-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.90
Rot. Bonds4

About 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine

4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine (PubChem CID 62190124) has the molecular formula C8H9N3OS2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine
PubChem CID62190124
Molecular FormulaC8H9N3OS2
Molecular Weight227.31 g/mol
Exact Mass227.02
IUPAC Name4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine
SMILESNc1snnc1COCc1cccs1
InChIInChI=1S/C8H9N3OS2/c9-8-7(10-11-14-8)5-12-4-6-2-1-3-13-6/h1-3H,4-5,9H2
InChIKeyPQFWHVNTHRSROK-UHFFFAOYSA-N
XLogP1.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine (CID 62190124) is 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine is Nc1snnc1COCc1cccs1.
What is the InChIKey of 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine?
The InChIKey is PQFWHVNTHRSROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS2/c9-8-7(10-11-14-8)5-12-4-6-2-1-3-13-6/h1-3H,4-5,9H2.
What are the key properties of 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine?
4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine has a molecular weight of 227.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62190124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).