About 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine
5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine (PubChem CID 131015096) has the molecular formula C7H6ClN5S
and a molecular weight of 227.68 g/mol. Its IUPAC name is 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine.
Molecular Properties
| Compound Name | 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine |
| PubChem CID | 131015096 |
| Molecular Formula | C7H6ClN5S |
| Molecular Weight | 227.68 g/mol |
| Exact Mass | 227.00 |
| IUPAC Name | 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine |
| SMILES | Clc1cnc(NCc2cnns2)cn1 |
| InChI | InChI=1S/C7H6ClN5S/c8-6-3-11-7(4-9-6)10-1-5-2-12-13-14-5/h2-4H,1H2,(H,10,11) |
| InChIKey | KZBHYOWUUVPKFG-UHFFFAOYSA-N |
| XLogP | 1.59 |
| TPSA | 63.59 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 227.68 |
| LogP ≤ 5 | 1.59 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine (CID 131015096) is 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine is Clc1cnc(NCc2cnns2)cn1.
What is the InChIKey of 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
The InChIKey is KZBHYOWUUVPKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S/c8-6-3-11-7(4-9-6)10-1-5-2-12-13-14-5/h2-4H,1H2,(H,10,11).
What are the key properties of 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine?
5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine has a molecular weight of 227.68 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(thiadiazol-5-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 131015096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).