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

C10H15N7S — CID 86795056

IUPAC3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C10H15N7S/c1-2-8-11-10(18-14-8)17-5-3-4-7(6-17)9-12-15-16-13-9/h7H,2-6H2,1H3,(H,12,13,15,16)
InChIKeyDMCSFWSOMAFJBV-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.00
Rot. Bonds3

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

3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 86795056) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID86795056
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC(c3nn[nH]n3)C2)n1
InChIInChI=1S/C10H15N7S/c1-2-8-11-10(18-14-8)17-5-3-4-7(6-17)9-12-15-16-13-9/h7H,2-6H2,1H3,(H,12,13,15,16)
InChIKeyDMCSFWSOMAFJBV-UHFFFAOYSA-N
XLogP1.00
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 86795056) is 3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCCC(c3nn[nH]n3)C2)n1.
What is the InChIKey of 3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is DMCSFWSOMAFJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S/c1-2-8-11-10(18-14-8)17-5-3-4-7(6-17)9-12-15-16-13-9/h7H,2-6H2,1H3,(H,12,13,15,16).
What are the key properties of 3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 265.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 86795056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).