trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol

C8H13N3O2S — CID 167102833

IUPACtrans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol
SMILESNc1nnc(OC[C@H]2CCC[C@H]2O)s1
InChIInChI=1S/C8H13N3O2S/c9-7-10-11-8(14-7)13-4-5-2-1-3-6(5)12/h5-6,12H,1-4H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyYUUNVWFQBBBMPM-PHDIDXHHSA-N
MW215.28 g/mol
LogP0.66
Rot. Bonds3

About trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol

trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol (PubChem CID 167102833) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol
PubChem CID167102833
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nametrans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol
SMILESNc1nnc(OC[C@H]2CCC[C@H]2O)s1
InChIInChI=1S/C8H13N3O2S/c9-7-10-11-8(14-7)13-4-5-2-1-3-6(5)12/h5-6,12H,1-4H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyYUUNVWFQBBBMPM-PHDIDXHHSA-N
XLogP0.66
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol (CID 167102833) is trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol is Nc1nnc(OC[C@H]2CCC[C@H]2O)s1.
What is the InChIKey of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol?
The InChIKey is YUUNVWFQBBBMPM-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13N3O2S/c9-7-10-11-8(14-7)13-4-5-2-1-3-6(5)12/h5-6,12H,1-4H2,(H2,9,10)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol?
trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol has a molecular weight of 215.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 167102833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).