5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine

C6H9N3OS — CID 94191622

IUPAC5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc([C@H]2CCOC2)s1
InChIInChI=1S/C6H9N3OS/c7-6-9-8-5(11-6)4-1-2-10-3-4/h4H,1-3H2,(H2,7,9)/t4-/m0/s1
InChIKeyKDBWQQVBYCWRJV-BYPYZUCNSA-N
MW171.22 g/mol
LogP0.62
Rot. Bonds1

About 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine

5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 94191622) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine
PubChem CID94191622
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc([C@H]2CCOC2)s1
InChIInChI=1S/C6H9N3OS/c7-6-9-8-5(11-6)4-1-2-10-3-4/h4H,1-3H2,(H2,7,9)/t4-/m0/s1
InChIKeyKDBWQQVBYCWRJV-BYPYZUCNSA-N
XLogP0.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine (CID 94191622) is 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine is Nc1nnc([C@H]2CCOC2)s1.
What is the InChIKey of 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KDBWQQVBYCWRJV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9N3OS/c7-6-9-8-5(11-6)4-1-2-10-3-4/h4H,1-3H2,(H2,7,9)/t4-/m0/s1.
What are the key properties of 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine?
5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 171.22 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 94191622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).