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

C12H19BrN2S — CID 102943266

IUPAC3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole
SMILESCCCCC1CCC(c2nc(Br)ns2)CC1
InChIInChI=1S/C12H19BrN2S/c1-2-3-4-9-5-7-10(8-6-9)11-14-12(13)15-16-11/h9-10H,2-8H2,1H3
InChIKeyJFXGFVKXSZDBKR-UHFFFAOYSA-N
MW303.27 g/mol
LogP4.76
Rot. Bonds4

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

3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 102943266) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole
PubChem CID102943266
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC Name3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole
SMILESCCCCC1CCC(c2nc(Br)ns2)CC1
InChIInChI=1S/C12H19BrN2S/c1-2-3-4-9-5-7-10(8-6-9)11-14-12(13)15-16-11/h9-10H,2-8H2,1H3
InChIKeyJFXGFVKXSZDBKR-UHFFFAOYSA-N
XLogP4.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943215
3-Bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943291
3-Bromo-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943337
3-Bromo-5-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole
CID 102943368
3-Bromo-5-(3,3-difluorocyclohexyl)-1,2,4-thiadiazole
CID 126974608
5-(3-Ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole
CID 58610415
5-(3-Ethylcyclohexyl)-3-methylthio-1,2,4-thiadiazole
CID 58610416
3-Methyl-5-(3-methylcyclohexyl)-1,2,4-thiadiazole
CID 58610417
5-(Cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole
CID 58610419
5-Cyclohexyl-3-methyl-1,2,4-thiadiazole
CID 58610420
3-Methyl-5-(2-methylcyclohexyl)-1,2,4-thiadiazole
CID 58610425
5-(3-Methylcyclohexyl)-3-methylthio-1,2,4-thiadiazole
CID 58610426

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole (CID 102943266) is 3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole is CCCCC1CCC(c2nc(Br)ns2)CC1.
What is the InChIKey of 3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is JFXGFVKXSZDBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-2-3-4-9-5-7-10(8-6-9)11-14-12(13)15-16-11/h9-10H,2-8H2,1H3.
What are the key properties of 3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole?
3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 303.27 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-butylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).