4-methyl-5-(3-methylbutyl)thiadiazole

C8H14N2S — CID 59827852

IUPAC4-methyl-5-(3-methylbutyl)thiadiazole
SMILESCc1nnsc1CCC(C)C
InChIInChI=1S/C8H14N2S/c1-6(2)4-5-8-7(3)9-10-11-8/h6H,4-5H2,1-3H3
InChIKeyNXERCJBRXUICII-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.44
Rot. Bonds3

About 4-methyl-5-(3-methylbutyl)thiadiazole

4-methyl-5-(3-methylbutyl)thiadiazole (PubChem CID 59827852) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-methyl-5-(3-methylbutyl)thiadiazole.

Molecular Properties

Compound Name4-methyl-5-(3-methylbutyl)thiadiazole
PubChem CID59827852
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-methyl-5-(3-methylbutyl)thiadiazole
SMILESCc1nnsc1CCC(C)C
InChIInChI=1S/C8H14N2S/c1-6(2)4-5-8-7(3)9-10-11-8/h6H,4-5H2,1-3H3
InChIKeyNXERCJBRXUICII-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylbutyl)thiadiazole?
The IUPAC name of 4-methyl-5-(3-methylbutyl)thiadiazole (CID 59827852) is 4-methyl-5-(3-methylbutyl)thiadiazole.
What is the SMILES notation for 4-methyl-5-(3-methylbutyl)thiadiazole?
The canonical SMILES for 4-methyl-5-(3-methylbutyl)thiadiazole is Cc1nnsc1CCC(C)C.
What is the InChIKey of 4-methyl-5-(3-methylbutyl)thiadiazole?
The InChIKey is NXERCJBRXUICII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)4-5-8-7(3)9-10-11-8/h6H,4-5H2,1-3H3.
What are the key properties of 4-methyl-5-(3-methylbutyl)thiadiazole?
4-methyl-5-(3-methylbutyl)thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylbutyl)thiadiazole is sourced from PubChem (CID 59827852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).