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

C9H13BrN2S — CID 106831435

IUPAC3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole
SMILESCC1(c2nc(Br)ns2)CCCCC1
InChIInChI=1S/C9H13BrN2S/c1-9(5-3-2-4-6-9)7-11-8(10)12-13-7/h2-6H2,1H3
InChIKeyWTNUAIOHTDWTLU-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.52
Rot. Bonds1

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

3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole (PubChem CID 106831435) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole
PubChem CID106831435
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole
SMILESCC1(c2nc(Br)ns2)CCCCC1
InChIInChI=1S/C9H13BrN2S/c1-9(5-3-2-4-6-9)7-11-8(10)12-13-7/h2-6H2,1H3
InChIKeyWTNUAIOHTDWTLU-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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-(4,4-difluorocyclohexyl)-1,2,4-thiadiazole
CID 102943368
3-Bromo-5-(3,3-difluorocyclohexyl)-1,2,4-thiadiazole
CID 126974608
5-Bromo-3-(5-methylundecan-5-yl)-1,2,4-thiadiazole
CID 146378563
5-(4-Tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine
CID 64543049
5-(1-Ethylcyclopentyl)-1,2,4-thiadiazol-3-amine
CID 80275552
5-Bromo-3-(3-methylcyclohexyl)-1,2,4-thiadiazole
CID 102617907
5-Bromo-3-(4-tert-butylcyclohexyl)-1,2,4-thiadiazole
CID 102618079
5-Bromo-3-(4,4-dimethylcyclohexyl)-1,2,4-thiadiazole
CID 102618109
5-(1-Adamantyl)-3-bromo-1,2,4-thiadiazole
CID 102943185
3-Bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole
CID 102943186

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole (CID 106831435) is 3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole is CC1(c2nc(Br)ns2)CCCCC1.
What is the InChIKey of 3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole?
The InChIKey is WTNUAIOHTDWTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-9(5-3-2-4-6-9)7-11-8(10)12-13-7/h2-6H2,1H3.
What are the key properties of 3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole?
3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole has a molecular weight of 261.19 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole is sourced from PubChem (CID 106831435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).