3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole

C7H5ClN4S — CID 102944047

IUPAC3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole
SMILESCc1cnc(-c2nc(Cl)ns2)cn1
InChIInChI=1S/C7H5ClN4S/c1-4-2-10-5(3-9-4)6-11-7(8)12-13-6/h2-3H,1H3
InChIKeyQQAKYBKSHHRBPE-UHFFFAOYSA-N
MW212.67 g/mol
LogP1.96
Rot. Bonds1

About 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole

3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole (PubChem CID 102944047) has the molecular formula C7H5ClN4S and a molecular weight of 212.67 g/mol. Its IUPAC name is 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole
PubChem CID102944047
Molecular FormulaC7H5ClN4S
Molecular Weight212.67 g/mol
Exact Mass211.99
IUPAC Name3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole
SMILESCc1cnc(-c2nc(Cl)ns2)cn1
InChIInChI=1S/C7H5ClN4S/c1-4-2-10-5(3-9-4)6-11-7(8)12-13-6/h2-3H,1H3
InChIKeyQQAKYBKSHHRBPE-UHFFFAOYSA-N
XLogP1.96
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole (CID 102944047) is 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole is Cc1cnc(-c2nc(Cl)ns2)cn1.
What is the InChIKey of 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole?
The InChIKey is QQAKYBKSHHRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S/c1-4-2-10-5(3-9-4)6-11-7(8)12-13-6/h2-3H,1H3.
What are the key properties of 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole?
3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole has a molecular weight of 212.67 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102944047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).