3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine

C6H8F3N3S — CID 82394683

IUPAC3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
SMILESCc1nsc(C(CN)C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3S/c1-3-11-5(13-12-3)4(2-10)6(7,8)9/h4H,2,10H2,1H3
InChIKeyLGHVMQPJUNXGMH-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.45
Rot. Bonds2

About 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine

3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine (PubChem CID 82394683) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
PubChem CID82394683
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
SMILESCc1nsc(C(CN)C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3S/c1-3-11-5(13-12-3)4(2-10)6(7,8)9/h4H,2,10H2,1H3
InChIKeyLGHVMQPJUNXGMH-UHFFFAOYSA-N
XLogP1.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine (CID 82394683) is 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine is Cc1nsc(C(CN)C(F)(F)F)n1.
What is the InChIKey of 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine?
The InChIKey is LGHVMQPJUNXGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-3-11-5(13-12-3)4(2-10)6(7,8)9/h4H,2,10H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine?
3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine has a molecular weight of 211.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 82394683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).