1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine

C6H6F3N3S — CID 130545925

IUPAC1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)3-11-4(13-12-3)5(10)1-2-5/h1-2,10H2
InChIKeyPRZGLQZTXXKSDO-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.50
Rot. Bonds1

About 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine

1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine (PubChem CID 130545925) has the molecular formula C6H6F3N3S and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine
PubChem CID130545925
Molecular FormulaC6H6F3N3S
Molecular Weight209.20 g/mol
Exact Mass209.02
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine
SMILESNC1(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C6H6F3N3S/c7-6(8,9)3-11-4(13-12-3)5(10)1-2-5/h1-2,10H2
InChIKeyPRZGLQZTXXKSDO-UHFFFAOYSA-N
XLogP1.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 86674740
3-Cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 91155524
3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
CID 106215085
2-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]butan-2-amine
CID 130545503
2-(5-Methyl-1,2,4-thiadiazol-3-yl)propan-2-amine
CID 96634536
2-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 82406960
1-(3-Methyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
CID 96735121
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
CID 130545881
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
CID 130545890
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
CID 130545934
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)cyclopropan-1-amine
CID 130545949

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine (CID 130545925) is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine is NC1(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine?
The InChIKey is PRZGLQZTXXKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3S/c7-6(8,9)3-11-4(13-12-3)5(10)1-2-5/h1-2,10H2.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine?
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine has a molecular weight of 209.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 130545925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).