2-bromo-5-butyl-1,3,4-thiadiazole

C6H9BrN2S — CID 63384013

IUPAC2-bromo-5-butyl-1,3,4-thiadiazole
SMILESCCCCc1nnc(Br)s1
InChIInChI=1S/C6H9BrN2S/c1-2-3-4-5-8-9-6(7)10-5/h2-4H2,1H3
InChIKeyIWUWPHWWQYZIQL-UHFFFAOYSA-N
MW221.12 g/mol
LogP2.64
Rot. Bonds3

About 2-bromo-5-butyl-1,3,4-thiadiazole

2-bromo-5-butyl-1,3,4-thiadiazole (PubChem CID 63384013) has the molecular formula C6H9BrN2S and a molecular weight of 221.12 g/mol. Its IUPAC name is 2-bromo-5-butyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-butyl-1,3,4-thiadiazole
PubChem CID63384013
Molecular FormulaC6H9BrN2S
Molecular Weight221.12 g/mol
Exact Mass219.97
IUPAC Name2-bromo-5-butyl-1,3,4-thiadiazole
SMILESCCCCc1nnc(Br)s1
InChIInChI=1S/C6H9BrN2S/c1-2-3-4-5-8-9-6(7)10-5/h2-4H2,1H3
InChIKeyIWUWPHWWQYZIQL-UHFFFAOYSA-N
XLogP2.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Bromo-5-tert-butyl-1,3,4-thiadiazole
CID 20406527
2-Bromo-5-ethyl-1,3,4-thiadiazole
CID 23227837
2-Bromo-5-(propan-2-yl)-1,3,4-thiadiazole
CID 46942155
2-Bromo-5-propyl-1,3,4-thiadiazole
CID 63384012
2-Bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole
CID 63384137
2,5-Dibutyl-1,3,4-thiadiazole
CID 12639665
2-Ethyl-5-propyl-1,3,4-thiadiazole
CID 45123423
2-Methyl-5-propyl-1,3,4-thiadiazole
CID 45123426
2-Butyl-5-iodo-1,3,4-thiadiazole
CID 63384147
2-Butyl-5-chloro-1,3,4-thiadiazole
CID 63386122
2-Chloro-5-pentyl-1,3,4-thiadiazole
CID 63386170
2-Methyl-5-pentyl-1,3,4-thiadiazole
CID 67829886

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-butyl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-butyl-1,3,4-thiadiazole (CID 63384013) is 2-bromo-5-butyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-butyl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-butyl-1,3,4-thiadiazole is CCCCc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-butyl-1,3,4-thiadiazole?
The InChIKey is IWUWPHWWQYZIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2S/c1-2-3-4-5-8-9-6(7)10-5/h2-4H2,1H3.
What are the key properties of 2-bromo-5-butyl-1,3,4-thiadiazole?
2-bromo-5-butyl-1,3,4-thiadiazole has a molecular weight of 221.12 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-butyl-1,3,4-thiadiazole is sourced from PubChem (CID 63384013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).