N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine

C7H11FN2S — CID 80695336

IUPACN-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCCF)c1nccs1
InChIInChI=1S/C7H11FN2S/c1-6(9-3-2-8)7-10-4-5-11-7/h4-6,9H,2-3H2,1H3
InChIKeyJNPRBPDWPFNNHP-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.76
Rot. Bonds4

About N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine

N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 80695336) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID80695336
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC NameN-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCCF)c1nccs1
InChIInChI=1S/C7H11FN2S/c1-6(9-3-2-8)7-10-4-5-11-7/h4-6,9H,2-3H2,1H3
InChIKeyJNPRBPDWPFNNHP-UHFFFAOYSA-N
XLogP1.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine (CID 80695336) is N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine is CC(NCCF)c1nccs1.
What is the InChIKey of N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is JNPRBPDWPFNNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-6(9-3-2-8)7-10-4-5-11-7/h4-6,9H,2-3H2,1H3.
What are the key properties of N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine?
N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 174.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 80695336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).