3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine

C6H8F3N3S2 — CID 103371652

IUPAC3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine
SMILESNCC(CSc1nncs1)C(F)(F)F
InChIInChI=1S/C6H8F3N3S2/c7-6(8,9)4(1-10)2-13-5-12-11-3-14-5/h3-4H,1-2,10H2
InChIKeyXFFFEAQEYYOVLI-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.77
Rot. Bonds4

About 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine

3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine (PubChem CID 103371652) has the molecular formula C6H8F3N3S2 and a molecular weight of 243.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine
PubChem CID103371652
Molecular FormulaC6H8F3N3S2
Molecular Weight243.28 g/mol
Exact Mass243.01
IUPAC Name3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine
SMILESNCC(CSc1nncs1)C(F)(F)F
InChIInChI=1S/C6H8F3N3S2/c7-6(8,9)4(1-10)2-13-5-12-11-3-14-5/h3-4H,1-2,10H2
InChIKeyXFFFEAQEYYOVLI-UHFFFAOYSA-N
XLogP1.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 43753028
4,4,4-Trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 43753428
4,4,4-Trifluoro-3-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-amine
CID 61647848
1,1,1-Trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine
CID 61647849
3,3,3-Trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine
CID 103371702
3,3,3-Trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 115382859
4,4,4-Trifluoro-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 115383245
3-(1,3,4-Thiadiazol-2-ylsulfanyl)propan-1-amine
CID 28374322
2-Methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 43530641
4-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 43530647

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine (CID 103371652) is 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine is NCC(CSc1nncs1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine?
The InChIKey is XFFFEAQEYYOVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S2/c7-6(8,9)4(1-10)2-13-5-12-11-3-14-5/h3-4H,1-2,10H2.
What are the key properties of 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine?
3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine has a molecular weight of 243.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)propan-1-amine is sourced from PubChem (CID 103371652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).