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

C7H10F3N3S2 — CID 60877708

IUPAC4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
SMILESCc1nnc(SC(CCN)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S2/c1-4-12-13-6(14-4)15-5(2-3-11)7(8,9)10/h5H,2-3,11H2,1H3
InChIKeyMGZIVRVMAJLPIJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.22
Rot. Bonds4

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

4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine (PubChem CID 60877708) has the molecular formula C7H10F3N3S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
PubChem CID60877708
Molecular FormulaC7H10F3N3S2
Molecular Weight257.31 g/mol
Exact Mass257.03
IUPAC Name4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
SMILESCc1nnc(SC(CCN)C(F)(F)F)s1
InChIInChI=1S/C7H10F3N3S2/c1-4-12-13-6(14-4)15-5(2-3-11)7(8,9)10/h5H,2-3,11H2,1H3
InChIKeyMGZIVRVMAJLPIJ-UHFFFAOYSA-N
XLogP2.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine (CID 60877708) is 4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine is Cc1nnc(SC(CCN)C(F)(F)F)s1.
What is the InChIKey of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
The InChIKey is MGZIVRVMAJLPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S2/c1-4-12-13-6(14-4)15-5(2-3-11)7(8,9)10/h5H,2-3,11H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine has a molecular weight of 257.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine is sourced from PubChem (CID 60877708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).