N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine

C8H13FN2S — CID 103760807

IUPACN-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCCF)c1nccs1
InChIInChI=1S/C8H13FN2S/c1-8(2,11-4-3-9)7-10-5-6-12-7/h5-6,11H,3-4H2,1-2H3
InChIKeyCEMOMPQVBYPLQU-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.94
Rot. Bonds4

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

N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103760807) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID103760807
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC NameN-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCCF)c1nccs1
InChIInChI=1S/C8H13FN2S/c1-8(2,11-4-3-9)7-10-5-6-12-7/h5-6,11H,3-4H2,1-2H3
InChIKeyCEMOMPQVBYPLQU-UHFFFAOYSA-N
XLogP1.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine (CID 103760807) is N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)(NCCF)c1nccs1.
What is the InChIKey of N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is CEMOMPQVBYPLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-8(2,11-4-3-9)7-10-5-6-12-7/h5-6,11H,3-4H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103760807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).