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

C11H15N7S — CID 86795057

IUPAC3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESC1CC(c2nn[nH]n2)CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N7S/c1-2-8(10-13-16-17-14-10)6-18(5-1)11-12-9(15-19-11)7-3-4-7/h7-8H,1-6H2,(H,13,14,16,17)
InChIKeyZKZCMVYJPFBOFG-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.31
Rot. Bonds3

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

3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 86795057) has the molecular formula C11H15N7S and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID86795057
Molecular FormulaC11H15N7S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESC1CC(c2nn[nH]n2)CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C11H15N7S/c1-2-8(10-13-16-17-14-10)6-18(5-1)11-12-9(15-19-11)7-3-4-7/h7-8H,1-6H2,(H,13,14,16,17)
InChIKeyZKZCMVYJPFBOFG-UHFFFAOYSA-N
XLogP1.31
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole (CID 86795057) is 3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is C1CC(c2nn[nH]n2)CN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is ZKZCMVYJPFBOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7S/c1-2-8(10-13-16-17-14-10)6-18(5-1)11-12-9(15-19-11)7-3-4-7/h7-8H,1-6H2,(H,13,14,16,17).
What are the key properties of 3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 277.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[3-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 86795057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).