N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H13FN2S — CID 12623047

IUPACN-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCCS1)c1ccccc1F
InChIInChI=1S/C11H13FN2S/c1-8(14-11-13-6-7-15-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyQCOCZKMSBITPFO-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.58
Rot. Bonds2

About N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 12623047) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID12623047
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCCS1)c1ccccc1F
InChIInChI=1S/C11H13FN2S/c1-8(14-11-13-6-7-15-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyQCOCZKMSBITPFO-UHFFFAOYSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 12623047) is N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(NC1=NCCS1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QCOCZKMSBITPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-8(14-11-13-6-7-15-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 224.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 12623047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).