2,5-dibutyl-1,3,4-thiadiazole

C10H18N2S — CID 12639665

IUPAC2,5-dibutyl-1,3,4-thiadiazole
SMILESCCCCc1nnc(CCCC)s1
InChIInChI=1S/C10H18N2S/c1-3-5-7-9-11-12-10(13-9)8-6-4-2/h3-8H2,1-2H3
InChIKeyCTZQVKOOFVGWMW-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.22
Rot. Bonds6

About 2,5-dibutyl-1,3,4-thiadiazole

2,5-dibutyl-1,3,4-thiadiazole (PubChem CID 12639665) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2,5-dibutyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-dibutyl-1,3,4-thiadiazole
PubChem CID12639665
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2,5-dibutyl-1,3,4-thiadiazole
SMILESCCCCc1nnc(CCCC)s1
InChIInChI=1S/C10H18N2S/c1-3-5-7-9-11-12-10(13-9)8-6-4-2/h3-8H2,1-2H3
InChIKeyCTZQVKOOFVGWMW-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Bromo-5-butyl-1,3,4-thiadiazole
CID 63384013
2,5-Diisopropyl-1,3,4-thiadiazole
CID 6451666
2,5-Diethyl-1,3,4-thiadiazole
CID 6451667
2,5-Di-tert-butyl-1,3,4-thiadiazole
CID 13448364
2-Butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 139526460
2,5-Dipropyl-1,3,4-thiadiazole
CID 12639664
2,5-Dihexyl-1,3,4-thiadiazole
CID 12639666
5-Ethyl-2-methyl-1,3,4-thiadiazole
CID 10964522
2,5-Bis[3-(butyldisulfanyl)propyl]-1,3,4-thiadiazole
CID 17793820
2,5-Dioctyl-1,3,4-thiadiazole
CID 18332293
2-Cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole
CID 20605514
2-Methyl-5-(3-methylpentan-3-yl)-1,3,4-thiadiazole
CID 21365760

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-1,3,4-thiadiazole?
The IUPAC name of 2,5-dibutyl-1,3,4-thiadiazole (CID 12639665) is 2,5-dibutyl-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-dibutyl-1,3,4-thiadiazole?
The canonical SMILES for 2,5-dibutyl-1,3,4-thiadiazole is CCCCc1nnc(CCCC)s1.
What is the InChIKey of 2,5-dibutyl-1,3,4-thiadiazole?
The InChIKey is CTZQVKOOFVGWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-5-7-9-11-12-10(13-9)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 2,5-dibutyl-1,3,4-thiadiazole?
2,5-dibutyl-1,3,4-thiadiazole has a molecular weight of 198.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-1,3,4-thiadiazole is sourced from PubChem (CID 12639665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).