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

C4H6FN3S — CID 86700919

IUPAC5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine
SMILESC[C@H](F)c1nnc(N)s1
InChIInChI=1S/C4H6FN3S/c1-2(5)3-7-8-4(6)9-3/h2H,1H3,(H2,6,8)/t2-/m0/s1
InChIKeyOEGSQIOYOVYWHF-REOHCLBHSA-N
MW147.18 g/mol
LogP1.15
Rot. Bonds1

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

5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 86700919) has the molecular formula C4H6FN3S and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine
PubChem CID86700919
Molecular FormulaC4H6FN3S
Molecular Weight147.18 g/mol
Exact Mass147.03
IUPAC Name5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine
SMILESC[C@H](F)c1nnc(N)s1
InChIInChI=1S/C4H6FN3S/c1-2(5)3-7-8-4(6)9-3/h2H,1H3,(H2,6,8)/t2-/m0/s1
InChIKeyOEGSQIOYOVYWHF-REOHCLBHSA-N
XLogP1.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine (CID 86700919) is 5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine is C[C@H](F)c1nnc(N)s1.
What is the InChIKey of 5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OEGSQIOYOVYWHF-REOHCLBHSA-N. The full InChI is InChI=1S/C4H6FN3S/c1-2(5)3-7-8-4(6)9-3/h2H,1H3,(H2,6,8)/t2-/m0/s1.
What are the key properties of 5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine?
5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 147.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-fluoroethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86700919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).