3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole

C16H26N2S — CID 138966770

IUPAC3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole
SMILESC1CCC(Cc2nsc(CC3CCCCC3)n2)CC1
InChIInChI=1S/C16H26N2S/c1-3-7-13(8-4-1)11-15-17-16(19-18-15)12-14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyRBIVVILAWQBORD-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.78
Rot. Bonds4

About 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole

3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole (PubChem CID 138966770) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole
PubChem CID138966770
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole
SMILESC1CCC(Cc2nsc(CC3CCCCC3)n2)CC1
InChIInChI=1S/C16H26N2S/c1-3-7-13(8-4-1)11-15-17-16(19-18-15)12-14-9-5-2-6-10-14/h13-14H,1-12H2
InChIKeyRBIVVILAWQBORD-UHFFFAOYSA-N
XLogP4.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole (CID 138966770) is 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole is C1CCC(Cc2nsc(CC3CCCCC3)n2)CC1.
What is the InChIKey of 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole?
The InChIKey is RBIVVILAWQBORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-7-13(8-4-1)11-15-17-16(19-18-15)12-14-9-5-2-6-10-14/h13-14H,1-12H2.
What are the key properties of 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole?
3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole has a molecular weight of 278.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(cyclohexylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 138966770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).