[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C15H19FN2OS — CID 82434838

IUPAC[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(CCOc2ccc(F)cc2)sc1CN
InChIInChI=1S/C15H19FN2OS/c1-10(2)15-13(9-17)20-14(18-15)7-8-19-12-5-3-11(16)4-6-12/h3-6,10H,7-9,17H2,1-2H3
InChIKeyIPZVTAIZFSVCRR-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.49
Rot. Bonds6

About [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 82434838) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID82434838
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(CCOc2ccc(F)cc2)sc1CN
InChIInChI=1S/C15H19FN2OS/c1-10(2)15-13(9-17)20-14(18-15)7-8-19-12-5-3-11(16)4-6-12/h3-6,10H,7-9,17H2,1-2H3
InChIKeyIPZVTAIZFSVCRR-UHFFFAOYSA-N
XLogP3.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 82434838) is [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC(C)c1nc(CCOc2ccc(F)cc2)sc1CN.
What is the InChIKey of [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is IPZVTAIZFSVCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-10(2)15-13(9-17)20-14(18-15)7-8-19-12-5-3-11(16)4-6-12/h3-6,10H,7-9,17H2,1-2H3.
What are the key properties of [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 294.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82434838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).