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

C11H17N7S — CID 75509064

IUPAC3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C11H17N7S/c1-7(2)9-12-11(19-15-9)18-5-3-4-8(6-18)10-13-16-17-14-10/h7-8H,3-6H2,1-2H3,(H,13,14,16,17)
InChIKeyMKHQHNPFLKYMAO-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.56
Rot. Bonds3

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

3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 75509064) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID75509064
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C11H17N7S/c1-7(2)9-12-11(19-15-9)18-5-3-4-8(6-18)10-13-16-17-14-10/h7-8H,3-6H2,1-2H3,(H,13,14,16,17)
InChIKeyMKHQHNPFLKYMAO-UHFFFAOYSA-N
XLogP1.56
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 75509064) is 3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is CC(C)c1nsc(N2CCCC(c3nn[nH]n3)C2)n1.
What is the InChIKey of 3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is MKHQHNPFLKYMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S/c1-7(2)9-12-11(19-15-9)18-5-3-4-8(6-18)10-13-16-17-14-10/h7-8H,3-6H2,1-2H3,(H,13,14,16,17).
What are the key properties of 3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 279.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 75509064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).