2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine

C6H8F3N3S — CID 65199618

IUPAC2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCc1nnsc1CNCC(F)(F)F
InChIInChI=1S/C6H8F3N3S/c1-4-5(13-12-11-4)2-10-3-6(7,8)9/h10H,2-3H2,1H3
InChIKeyNVKFMSDAWSEMBZ-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.50
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 65199618) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
PubChem CID65199618
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCc1nnsc1CNCC(F)(F)F
InChIInChI=1S/C6H8F3N3S/c1-4-5(13-12-11-4)2-10-3-6(7,8)9/h10H,2-3H2,1H3
InChIKeyNVKFMSDAWSEMBZ-UHFFFAOYSA-N
XLogP1.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine (CID 65199618) is 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine is Cc1nnsc1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is NVKFMSDAWSEMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-4-5(13-12-11-4)2-10-3-6(7,8)9/h10H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 211.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65199618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).