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

C11H13FN2S — CID 29068158

IUPACN-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccccc1CCNC1=NCCS1
InChIInChI=1S/C11H13FN2S/c12-10-4-2-1-3-9(10)5-6-13-11-14-7-8-15-11/h1-4H,5-8H2,(H,13,14)
InChIKeyRSKQQIZQZYSYSZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.06
Rot. Bonds3

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

N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068158) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068158
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccccc1CCNC1=NCCS1
InChIInChI=1S/C11H13FN2S/c12-10-4-2-1-3-9(10)5-6-13-11-14-7-8-15-11/h1-4H,5-8H2,(H,13,14)
InChIKeyRSKQQIZQZYSYSZ-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 29068158) is N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Fc1ccccc1CCNC1=NCCS1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RSKQQIZQZYSYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c12-10-4-2-1-3-9(10)5-6-13-11-14-7-8-15-11/h1-4H,5-8H2,(H,13,14).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 224.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).