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

C5H9N3OS — CID 97049119

IUPAC3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
SMILESCO[C@@H](C)c1nsc(N)n1
InChIInChI=1S/C5H9N3OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3,(H2,6,7,8)/t3-/m0/s1
InChIKeyMWIYSNQRZYVAFA-VKHMYHEASA-N
MW159.21 g/mol
LogP0.83
Rot. Bonds2

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

3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 97049119) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
PubChem CID97049119
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine
SMILESCO[C@@H](C)c1nsc(N)n1
InChIInChI=1S/C5H9N3OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3,(H2,6,7,8)/t3-/m0/s1
InChIKeyMWIYSNQRZYVAFA-VKHMYHEASA-N
XLogP0.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine (CID 97049119) is 3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine is CO[C@@H](C)c1nsc(N)n1.
What is the InChIKey of 3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is MWIYSNQRZYVAFA-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9N3OS/c1-3(9-2)4-7-5(6)10-8-4/h3H,1-2H3,(H2,6,7,8)/t3-/m0/s1.
What are the key properties of 3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine?
3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 159.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-methoxyethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 97049119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).