N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine

C9H15FN2S — CID 83819523

IUPACN-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(CF)c1cscn1
InChIInChI=1S/C9H15FN2S/c1-7(2)4-11-8(3-10)9-5-13-6-12-9/h5-8,11H,3-4H2,1-2H3
InChIKeyFTHSPSBRFJCNHQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.40
Rot. Bonds5

About N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine

N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 83819523) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine
PubChem CID83819523
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC NameN-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(CF)c1cscn1
InChIInChI=1S/C9H15FN2S/c1-7(2)4-11-8(3-10)9-5-13-6-12-9/h5-8,11H,3-4H2,1-2H3
InChIKeyFTHSPSBRFJCNHQ-UHFFFAOYSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine (CID 83819523) is N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine is CC(C)CNC(CF)c1cscn1.
What is the InChIKey of N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is FTHSPSBRFJCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-7(2)4-11-8(3-10)9-5-13-6-12-9/h5-8,11H,3-4H2,1-2H3.
What are the key properties of N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine?
N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-1-(1,3-thiazol-4-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83819523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).