3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole

C14H20N6S — CID 138019483

IUPAC3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(C2CN(c3nc(C4CCCCC4)ns3)C2)n[nH]1
InChIInChI=1S/C14H20N6S/c1-9-15-12(18-17-9)11-7-20(8-11)14-16-13(19-21-14)10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,15,17,18)
InChIKeyQDSAXDZAOUGSGJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.62
Rot. Bonds3

About 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole

3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole (PubChem CID 138019483) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole
PubChem CID138019483
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(C2CN(c3nc(C4CCCCC4)ns3)C2)n[nH]1
InChIInChI=1S/C14H20N6S/c1-9-15-12(18-17-9)11-7-20(8-11)14-16-13(19-21-14)10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,15,17,18)
InChIKeyQDSAXDZAOUGSGJ-UHFFFAOYSA-N
XLogP2.62
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole (CID 138019483) is 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole is Cc1nc(C2CN(c3nc(C4CCCCC4)ns3)C2)n[nH]1.
What is the InChIKey of 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is QDSAXDZAOUGSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-9-15-12(18-17-9)11-7-20(8-11)14-16-13(19-21-14)10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,15,17,18).
What are the key properties of 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole?
3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 304.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 138019483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).