3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole

C8H8N4S — CID 20745748

IUPAC3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole
SMILESCc1ccnc(-c2nc(C)ns2)n1
InChIInChI=1S/C8H8N4S/c1-5-3-4-9-7(10-5)8-11-6(2)12-13-8/h3-4H,1-2H3
InChIKeyHSTMSZLDTMHDEW-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.61
Rot. Bonds1

About 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole

3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole (PubChem CID 20745748) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole
PubChem CID20745748
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole
SMILESCc1ccnc(-c2nc(C)ns2)n1
InChIInChI=1S/C8H8N4S/c1-5-3-4-9-7(10-5)8-11-6(2)12-13-8/h3-4H,1-2H3
InChIKeyHSTMSZLDTMHDEW-UHFFFAOYSA-N
XLogP1.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole (CID 20745748) is 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole is Cc1ccnc(-c2nc(C)ns2)n1.
What is the InChIKey of 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole?
The InChIKey is HSTMSZLDTMHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-5-3-4-9-7(10-5)8-11-6(2)12-13-8/h3-4H,1-2H3.
What are the key properties of 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole?
3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole has a molecular weight of 192.25 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylpyrimidin-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 20745748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).