N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

C12H18N4O2S — CID 82176636

IUPACN-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCNC2)s1)C1CCCO1
InChIInChI=1S/C12H18N4O2S/c17-10(9-4-2-6-18-9)14-12-16-15-11(19-12)8-3-1-5-13-7-8/h8-9,13H,1-7H2,(H,14,16,17)
InChIKeyQOBGRPHDLGEAII-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.12
Rot. Bonds3

About N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (PubChem CID 82176636) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
PubChem CID82176636
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCNC2)s1)C1CCCO1
InChIInChI=1S/C12H18N4O2S/c17-10(9-4-2-6-18-9)14-12-16-15-11(19-12)8-3-1-5-13-7-8/h8-9,13H,1-7H2,(H,14,16,17)
InChIKeyQOBGRPHDLGEAII-UHFFFAOYSA-N
XLogP1.12
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (CID 82176636) is N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is O=C(Nc1nnc(C2CCCNC2)s1)C1CCCO1.
What is the InChIKey of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is QOBGRPHDLGEAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c17-10(9-4-2-6-18-9)14-12-16-15-11(19-12)8-3-1-5-13-7-8/h8-9,13H,1-7H2,(H,14,16,17).
What are the key properties of N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 82176636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).