2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole

C8H9BrN4S — CID 64624753

IUPAC2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole
SMILESCCCc1nccn1-c1nnc(Br)s1
InChIInChI=1S/C8H9BrN4S/c1-2-3-6-10-4-5-13(6)8-12-11-7(9)14-8/h4-5H,2-3H2,1H3
InChIKeyDXVAKMWBMKNGNI-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.44
Rot. Bonds3

About 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole

2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole (PubChem CID 64624753) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole
PubChem CID64624753
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole
SMILESCCCc1nccn1-c1nnc(Br)s1
InChIInChI=1S/C8H9BrN4S/c1-2-3-6-10-4-5-13(6)8-12-11-7(9)14-8/h4-5H,2-3H2,1H3
InChIKeyDXVAKMWBMKNGNI-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-propylimidazol-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306319
2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450432
3-bromo-5-(2-propylimidazol-1-yl)benzonitrile
CID 102817661
(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
CID 114066424
1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine
CID 66017554
1-iodo-2-propylimidazole
CID 139936657
azane;1-methyl-2-propylimidazole
CID 174525892
4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114904183
5-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114892684
2-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 116798084
methanamine;1-methyl-2-propylimidazole
CID 164902083
5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine
CID 114011755

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole (CID 64624753) is 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole is CCCc1nccn1-c1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole?
The InChIKey is DXVAKMWBMKNGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c1-2-3-6-10-4-5-13(6)8-12-11-7(9)14-8/h4-5H,2-3H2,1H3.
What are the key properties of 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole?
2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole has a molecular weight of 273.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-propylimidazol-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 64624753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).