3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine

C5H8FN3S — CID 105431652

IUPAC3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(F)c1nsc(N)n1
InChIInChI=1S/C5H8FN3S/c1-5(2,6)3-8-4(7)10-9-3/h1-2H3,(H2,7,8,9)
InChIKeyWAEACVCMBMFKEI-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.32
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine

3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 105431652) has the molecular formula C5H8FN3S and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID105431652
Molecular FormulaC5H8FN3S
Molecular Weight161.21 g/mol
Exact Mass161.04
IUPAC Name3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(F)c1nsc(N)n1
InChIInChI=1S/C5H8FN3S/c1-5(2,6)3-8-4(7)10-9-3/h1-2H3,(H2,7,8,9)
InChIKeyWAEACVCMBMFKEI-UHFFFAOYSA-N
XLogP1.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
3-Propyl-1,2,4-thiadiazol-5-amine
CID 575489
5-Amino-3-ethyl-1,2,4-thiadiazole
CID 2756430
3-Cyclopropyl-1,2,4-thiadiazol-5-amine
CID 23092533
3-Tert-butyl-1,2,4-thiadiazol-5-amine
CID 21688990
3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 55287031
5-Tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 58432432
3-(3,3,3-Trifluoro-propyl)-[1,2,4]thiadiazol-5-ylamine
CID 66898934
3-Ethyl-5-fluoro-1,2,4-thiadiazole
CID 123276911
3-Tert-butyl-5-fluoro-1,2,4-thiadiazole
CID 146378287
5-Tert-butyl-3-fluoro-1,2,4-thiadiazole
CID 146378409
3-(1-Fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 174597237

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 105431652) is 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine is CC(C)(F)c1nsc(N)n1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WAEACVCMBMFKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3S/c1-5(2,6)3-8-4(7)10-9-3/h1-2H3,(H2,7,8,9).
What are the key properties of 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine?
3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 161.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 105431652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).