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

C10H18N2S — CID 130435721

IUPAC5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole
SMILESCCCCC(C)(C)c1nsc(C)n1
InChIInChI=1S/C10H18N2S/c1-5-6-7-10(3,4)9-11-8(2)13-12-9/h5-7H2,1-4H3
InChIKeyOHPFUJFLLAMINE-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.31
Rot. Bonds4

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

5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole (PubChem CID 130435721) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole
PubChem CID130435721
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole
SMILESCCCCC(C)(C)c1nsc(C)n1
InChIInChI=1S/C10H18N2S/c1-5-6-7-10(3,4)9-11-8(2)13-12-9/h5-7H2,1-4H3
InChIKeyOHPFUJFLLAMINE-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole (CID 130435721) is 5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole is CCCCC(C)(C)c1nsc(C)n1.
What is the InChIKey of 5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole?
The InChIKey is OHPFUJFLLAMINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-5-6-7-10(3,4)9-11-8(2)13-12-9/h5-7H2,1-4H3.
What are the key properties of 5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole?
5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole has a molecular weight of 198.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylhexan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 130435721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).