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

C9H13BrN2S — CID 102943288

IUPAC3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole
SMILESCC1CCC(c2nc(Br)ns2)CC1
InChIInChI=1S/C9H13BrN2S/c1-6-2-4-7(5-3-6)8-11-9(10)12-13-8/h6-7H,2-5H2,1H3
InChIKeyVUMYUBZGFWPQCQ-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.59
Rot. Bonds1

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

3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 102943288) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole
PubChem CID102943288
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole
SMILESCC1CCC(c2nc(Br)ns2)CC1
InChIInChI=1S/C9H13BrN2S/c1-6-2-4-7(5-3-6)8-11-9(10)12-13-8/h6-7H,2-5H2,1H3
InChIKeyVUMYUBZGFWPQCQ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(Trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-3-amine
CID 81934048
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-Iodo-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943545
3-Chloro-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943880
3-Bromo-5-(3,3-difluorocyclohexyl)-1,2,4-thiadiazole
CID 126974608
5-(3-Ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole
CID 58610415
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole (CID 102943288) is 3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole is CC1CCC(c2nc(Br)ns2)CC1.
What is the InChIKey of 3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is VUMYUBZGFWPQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-6-2-4-7(5-3-6)8-11-9(10)12-13-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole?
3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 261.19 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-methylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).