1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine

C18H17FN2OS — CID 3418106

IUPAC1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2cc(F)ccc2OCc2ccccc2)cs1
InChIInChI=1S/C18H17FN2OS/c1-12(20)18-21-16(11-23-18)15-9-14(19)7-8-17(15)22-10-13-5-3-2-4-6-13/h2-9,11-12H,10,20H2,1H3
InChIKeyUUCKRJXVXVBDJV-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.55
Rot. Bonds5

About 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine

1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3418106) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3418106
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2cc(F)ccc2OCc2ccccc2)cs1
InChIInChI=1S/C18H17FN2OS/c1-12(20)18-21-16(11-23-18)15-9-14(19)7-8-17(15)22-10-13-5-3-2-4-6-13/h2-9,11-12H,10,20H2,1H3
InChIKeyUUCKRJXVXVBDJV-UHFFFAOYSA-N
XLogP4.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (CID 3418106) is 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2cc(F)ccc2OCc2ccccc2)cs1.
What is the InChIKey of 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is UUCKRJXVXVBDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-12(20)18-21-16(11-23-18)15-9-14(19)7-8-17(15)22-10-13-5-3-2-4-6-13/h2-9,11-12H,10,20H2,1H3.
What are the key properties of 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 328.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3418106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).