5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole

C9H10N4S — CID 18340616

IUPAC5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole
SMILESCC(C)c1cnc(-c2ncns2)cn1
InChIInChI=1S/C9H10N4S/c1-6(2)7-3-11-8(4-10-7)9-12-5-13-14-9/h3-6H,1-2H3
InChIKeyOXIXMSUWWZMSTF-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.12
Rot. Bonds2

About 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole

5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole (PubChem CID 18340616) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole
PubChem CID18340616
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole
SMILESCC(C)c1cnc(-c2ncns2)cn1
InChIInChI=1S/C9H10N4S/c1-6(2)7-3-11-8(4-10-7)9-12-5-13-14-9/h3-6H,1-2H3
InChIKeyOXIXMSUWWZMSTF-UHFFFAOYSA-N
XLogP2.12
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole (CID 18340616) is 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole is CC(C)c1cnc(-c2ncns2)cn1.
What is the InChIKey of 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole?
The InChIKey is OXIXMSUWWZMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-6(2)7-3-11-8(4-10-7)9-12-5-13-14-9/h3-6H,1-2H3.
What are the key properties of 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole?
5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole has a molecular weight of 206.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propan-2-ylpyrazin-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 18340616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).