(1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine

C6H8F3N3S — CID 130863581

IUPAC(1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine
SMILESCc1nnsc1[C@H](N)CC(F)(F)F
InChIInChI=1S/C6H8F3N3S/c1-3-5(13-12-11-3)4(10)2-6(7,8)9/h4H,2,10H2,1H3/t4-/m1/s1
InChIKeyZFHSFQBSIGUNET-SCSAIBSYSA-N
MW211.21 g/mol
LogP1.80
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine

(1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine (PubChem CID 130863581) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine
PubChem CID130863581
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name(1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine
SMILESCc1nnsc1[C@H](N)CC(F)(F)F
InChIInChI=1S/C6H8F3N3S/c1-3-5(13-12-11-3)4(10)2-6(7,8)9/h4H,2,10H2,1H3/t4-/m1/s1
InChIKeyZFHSFQBSIGUNET-SCSAIBSYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine (CID 130863581) is (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine is Cc1nnsc1[C@H](N)CC(F)(F)F.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine?
The InChIKey is ZFHSFQBSIGUNET-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-3-5(13-12-11-3)4(10)2-6(7,8)9/h4H,2,10H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine?
(1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine has a molecular weight of 211.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(4-methylthiadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 130863581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).