5-butyl-4-methylthiadiazole

C7H12N2S — CID 23383489

IUPAC5-butyl-4-methylthiadiazole
SMILESCCCCc1snnc1C
InChIInChI=1S/C7H12N2S/c1-3-4-5-7-6(2)8-9-10-7/h3-5H2,1-2H3
InChIKeyJRXFKIATTPKYAQ-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.19
Rot. Bonds3

About 5-butyl-4-methylthiadiazole

5-butyl-4-methylthiadiazole (PubChem CID 23383489) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-butyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-butyl-4-methylthiadiazole
PubChem CID23383489
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-butyl-4-methylthiadiazole
SMILESCCCCc1snnc1C
InChIInChI=1S/C7H12N2S/c1-3-4-5-7-6(2)8-9-10-7/h3-5H2,1-2H3
InChIKeyJRXFKIATTPKYAQ-UHFFFAOYSA-N
XLogP2.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydrobenzo[d][1,2,3]thiadiazole
CID 12206278
5,6-Dihydro-4H-cyclopenta[d][1,2,3]thiadiazole
CID 12206280
5,6,7,8-tetrahydro-4H-cyclohepta[d]thiadiazole
CID 12206277
5-Ethyl-4-(fluoromethyl)thiadiazole
CID 141237842
5-Cyclopropyl-4-(fluoromethyl)thiadiazole
CID 141237847
5-Ethyl-4-methylthiadiazole
CID 12679017
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-Ethyl-5-methylthiadiazole
CID 12679016
4-Methyl-5-pentyl-1,2,3-thiadiazole
CID 13427196

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methylthiadiazole?
The IUPAC name of 5-butyl-4-methylthiadiazole (CID 23383489) is 5-butyl-4-methylthiadiazole.
What is the SMILES notation for 5-butyl-4-methylthiadiazole?
The canonical SMILES for 5-butyl-4-methylthiadiazole is CCCCc1snnc1C.
What is the InChIKey of 5-butyl-4-methylthiadiazole?
The InChIKey is JRXFKIATTPKYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-4-5-7-6(2)8-9-10-7/h3-5H2,1-2H3.
What are the key properties of 5-butyl-4-methylthiadiazole?
5-butyl-4-methylthiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methylthiadiazole is sourced from PubChem (CID 23383489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).