3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine

C7H10F3N3S3 — CID 103371702

IUPAC3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine
SMILESCSc1nnc(SCC(CN)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S3/c1-14-5-12-13-6(16-5)15-3-4(2-11)7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyWLOCVFKORUYPSV-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.49
Rot. Bonds5

About 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine

3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine (PubChem CID 103371702) has the molecular formula C7H10F3N3S3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine
PubChem CID103371702
Molecular FormulaC7H10F3N3S3
Molecular Weight289.37 g/mol
Exact Mass289.00
IUPAC Name3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine
SMILESCSc1nnc(SCC(CN)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S3/c1-14-5-12-13-6(16-5)15-3-4(2-11)7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyWLOCVFKORUYPSV-UHFFFAOYSA-N
XLogP2.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine (CID 103371702) is 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine is CSc1nnc(SCC(CN)C(F)(F)F)s1.
What is the InChIKey of 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine?
The InChIKey is WLOCVFKORUYPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S3/c1-14-5-12-13-6(16-5)15-3-4(2-11)7(8,9)10/h4H,2-3,11H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine?
3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]propan-1-amine is sourced from PubChem (CID 103371702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).