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

C8H14N2S — CID 91028041

IUPAC5-methyl-4-(3-methylbutyl)thiadiazole
SMILESCc1snnc1CCC(C)C
InChIInChI=1S/C8H14N2S/c1-6(2)4-5-8-7(3)11-10-9-8/h6H,4-5H2,1-3H3
InChIKeyFAYABVDKHPXMML-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.44
Rot. Bonds3

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

5-methyl-4-(3-methylbutyl)thiadiazole (PubChem CID 91028041) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 5-methyl-4-(3-methylbutyl)thiadiazole.

Molecular Properties

Compound Name5-methyl-4-(3-methylbutyl)thiadiazole
PubChem CID91028041
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name5-methyl-4-(3-methylbutyl)thiadiazole
SMILESCc1snnc1CCC(C)C
InChIInChI=1S/C8H14N2S/c1-6(2)4-5-8-7(3)11-10-9-8/h6H,4-5H2,1-3H3
InChIKeyFAYABVDKHPXMML-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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Related Compounds

4-Tert-butyl-5-propan-2-ylthiadiazole
CID 12552710
4-Cyclopropyl-5-(fluoromethyl)thiadiazole
CID 141237817
5-Cyclopropyl-4-(fluoromethyl)thiadiazole
CID 141237847
4-Methyl-5-propylthiadiazole
CID 12913685
5-(2-Chloro-2-methylpropyl)-4-methylthiadiazole
CID 134909748
4,5,6,7,8,9-Hexahydrocycloocta[d]thiadiazole
CID 12206276
4,5,6,7,8,9,10,11,12,13-Decahydrocyclododeca[d]thiadiazole
CID 12565898
4-Methyl-5-pentyl-1,2,3-thiadiazole
CID 13427196
2-Methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine
CID 23111159
5-Butyl-4-methylthiadiazole
CID 23383489
4-Methyl-5-propan-2-ylthiadiazole
CID 23588983
4,5-Di(propan-2-yl)thiadiazole
CID 59752180

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylbutyl)thiadiazole?
The IUPAC name of 5-methyl-4-(3-methylbutyl)thiadiazole (CID 91028041) is 5-methyl-4-(3-methylbutyl)thiadiazole.
What is the SMILES notation for 5-methyl-4-(3-methylbutyl)thiadiazole?
The canonical SMILES for 5-methyl-4-(3-methylbutyl)thiadiazole is Cc1snnc1CCC(C)C.
What is the InChIKey of 5-methyl-4-(3-methylbutyl)thiadiazole?
The InChIKey is FAYABVDKHPXMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)4-5-8-7(3)11-10-9-8/h6H,4-5H2,1-3H3.
What are the key properties of 5-methyl-4-(3-methylbutyl)thiadiazole?
5-methyl-4-(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 5-methyl-4-(3-methylbutyl)thiadiazole is sourced from PubChem (CID 91028041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).