1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol

C7H12N4OS — CID 68709720

IUPAC1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
SMILESNc1nnc(N2CCC(O)CC2)s1
InChIInChI=1S/C7H12N4OS/c8-6-9-10-7(13-6)11-3-1-5(12)2-4-11/h5,12H,1-4H2,(H2,8,9)
InChIKeyRREJPYIWRUVJPM-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.08
Rot. Bonds1

About 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol

1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol (PubChem CID 68709720) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
PubChem CID68709720
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
SMILESNc1nnc(N2CCC(O)CC2)s1
InChIInChI=1S/C7H12N4OS/c8-6-9-10-7(13-6)11-3-1-5(12)2-4-11/h5,12H,1-4H2,(H2,8,9)
InChIKeyRREJPYIWRUVJPM-UHFFFAOYSA-N
XLogP0.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
The IUPAC name of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol (CID 68709720) is 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol is Nc1nnc(N2CCC(O)CC2)s1.
What is the InChIKey of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
The InChIKey is RREJPYIWRUVJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-6-9-10-7(13-6)11-3-1-5(12)2-4-11/h5,12H,1-4H2,(H2,8,9).
What are the key properties of 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol has a molecular weight of 200.27 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol is sourced from PubChem (CID 68709720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).