3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole

C9H13BrN2S — CID 102943204

IUPAC3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1(C)C(c2nc(Br)ns2)C1(C)C
InChIInChI=1S/C9H13BrN2S/c1-8(2)5(9(8,3)4)6-11-7(10)12-13-6/h5H,1-4H3
InChIKeyYHALVSZRCXTSEV-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.45
Rot. Bonds1

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

3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole (PubChem CID 102943204) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole
PubChem CID102943204
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1(C)C(c2nc(Br)ns2)C1(C)C
InChIInChI=1S/C9H13BrN2S/c1-8(2)5(9(8,3)4)6-11-7(10)12-13-6/h5H,1-4H3
InChIKeyYHALVSZRCXTSEV-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-3,3-dimethylpentan-2-yl]-3-methyl-1,2,4-thiadiazole
CID 68256758
5-(1-Ethylcyclopropyl)-3-methyl-1,2,4-thiadiazole
CID 135170449
3-(1-Cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole
CID 135170507
3-(1-Ethylcyclopropyl)-5-methyl-1,2,4-thiadiazole
CID 135170710
5-(2,3,3-Trimethylbutyl)-1,2,4-thiadiazol-3-amine
CID 64543253
5-(2,4,4-Trimethylpentyl)-1,2,4-thiadiazol-3-amine
CID 64543457
5-(2-Bromo-3,3-dimethylbutyl)-3-cyclopropyl-1,2,4-thiadiazole
CID 65280135
5-(2,2,3,3-Tetramethylcyclopropyl)-1,2,4-thiadiazol-3-amine
CID 66478689
5-(1-Cyclopropylethyl)-1,2,4-thiadiazol-3-amine
CID 83151019
5-(6-Bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole
CID 102943214
3-Bromo-5-(1-methylcyclopentyl)-1,2,4-thiadiazole
CID 102943235
3-Bromo-5-(2,4,4-trimethylpentyl)-1,2,4-thiadiazole
CID 102943255

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole (CID 102943204) is 3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole is CC1(C)C(c2nc(Br)ns2)C1(C)C.
What is the InChIKey of 3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole?
The InChIKey is YHALVSZRCXTSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-8(2)5(9(8,3)4)6-11-7(10)12-13-6/h5H,1-4H3.
What are the key properties of 3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole?
3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole has a molecular weight of 261.19 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).