2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine

C12H13FN2S — CID 10739610

IUPAC2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-2-9(6-10)7-12-15-11(4-5-14)8-16-12/h1-3,6,8H,4-5,7,14H2
InChIKeyHNCHUPDHEYQFPX-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.37
Rot. Bonds4

About 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 10739610) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID10739610
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(Cc2cccc(F)c2)n1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-2-9(6-10)7-12-15-11(4-5-14)8-16-12/h1-3,6,8H,4-5,7,14H2
InChIKeyHNCHUPDHEYQFPX-UHFFFAOYSA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine (CID 10739610) is 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc(Cc2cccc(F)c2)n1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is HNCHUPDHEYQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-10-3-1-2-9(6-10)7-12-15-11(4-5-14)8-16-12/h1-3,6,8H,4-5,7,14H2.
What are the key properties of 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 236.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 10739610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).