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

C12H15FN2S — CID 43439692

IUPACN-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCc2ccc(F)cc2)S1
InChIInChI=1S/C12H15FN2S/c1-9-8-15-12(16-9)14-7-6-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyOUCFXGAUWNSKLQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.45
Rot. Bonds3

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

N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439692) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439692
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCCc2ccc(F)cc2)S1
InChIInChI=1S/C12H15FN2S/c1-9-8-15-12(16-9)14-7-6-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyOUCFXGAUWNSKLQ-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439692) is N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCCc2ccc(F)cc2)S1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OUCFXGAUWNSKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c1-9-8-15-12(16-9)14-7-6-10-2-4-11(13)5-3-10/h2-5,9H,6-8H2,1H3,(H,14,15).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).