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

C10H12N4S — CID 163639171

IUPAC2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole
SMILESCc1cnc(CCc2nnc(C)s2)nc1
InChIInChI=1S/C10H12N4S/c1-7-5-11-9(12-6-7)3-4-10-14-13-8(2)15-10/h5-6H,3-4H2,1-2H3
InChIKeyICRZNPJYMBVIHH-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.73
Rot. Bonds3

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

2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole (PubChem CID 163639171) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole
PubChem CID163639171
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole
SMILESCc1cnc(CCc2nnc(C)s2)nc1
InChIInChI=1S/C10H12N4S/c1-7-5-11-9(12-6-7)3-4-10-14-13-8(2)15-10/h5-6H,3-4H2,1-2H3
InChIKeyICRZNPJYMBVIHH-UHFFFAOYSA-N
XLogP1.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole (CID 163639171) is 2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole is Cc1cnc(CCc2nnc(C)s2)nc1.
What is the InChIKey of 2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole?
The InChIKey is ICRZNPJYMBVIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-5-11-9(12-6-7)3-4-10-14-13-8(2)15-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole?
2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole has a molecular weight of 220.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 163639171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).