3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole

C13H20N6S — CID 125143240

IUPAC3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCCC[C@@H]2c2nc(C(C)C)n[nH]2)n1
InChIInChI=1S/C13H20N6S/c1-8(2)11-15-12(17-16-11)10-6-4-5-7-19(10)13-14-9(3)18-20-13/h8,10H,4-7H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyUEIGLCKPAOOXNZ-SNVBAGLBSA-N
MW292.41 g/mol
LogP2.82
Rot. Bonds3

About 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole

3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 125143240) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID125143240
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCc1nsc(N2CCCC[C@@H]2c2nc(C(C)C)n[nH]2)n1
InChIInChI=1S/C13H20N6S/c1-8(2)11-15-12(17-16-11)10-6-4-5-7-19(10)13-14-9(3)18-20-13/h8,10H,4-7H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyUEIGLCKPAOOXNZ-SNVBAGLBSA-N
XLogP2.82
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 125143240) is 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is Cc1nsc(N2CCCC[C@@H]2c2nc(C(C)C)n[nH]2)n1.
What is the InChIKey of 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is UEIGLCKPAOOXNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N6S/c1-8(2)11-15-12(17-16-11)10-6-4-5-7-19(10)13-14-9(3)18-20-13/h8,10H,4-7H2,1-3H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 292.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 125143240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).