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

C6H8F3N3S3 — CID 115382859

IUPAC3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCSc1nnc(SC(CN)C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S3/c1-13-4-11-12-5(15-4)14-3(2-10)6(7,8)9/h3H,2,10H2,1H3
InChIKeyCLIOUBSHGYVHRS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.24
Rot. Bonds4

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

3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 115382859) has the molecular formula C6H8F3N3S3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID115382859
Molecular FormulaC6H8F3N3S3
Molecular Weight275.35 g/mol
Exact Mass274.98
IUPAC Name3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCSc1nnc(SC(CN)C(F)(F)F)s1
InChIInChI=1S/C6H8F3N3S3/c1-13-4-11-12-5(15-4)14-3(2-10)6(7,8)9/h3H,2,10H2,1H3
InChIKeyCLIOUBSHGYVHRS-UHFFFAOYSA-N
XLogP2.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.24
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)sulfanyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (CID 115382859) is 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is CSc1nnc(SC(CN)C(F)(F)F)s1.
What is the InChIKey of 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is CLIOUBSHGYVHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S3/c1-13-4-11-12-5(15-4)14-3(2-10)6(7,8)9/h3H,2,10H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
3,3,3-trifluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.24, 4 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)sulfanyl]propan-1-amine is sourced from PubChem (CID 115382859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).