(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

C19H19FN2OS — CID 97234662

IUPAC(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCOc1ccc([C@H](Cc2ccc(F)cc2)NCc2cncs2)cc1
InChIInChI=1S/C19H19FN2OS/c1-23-17-8-4-15(5-9-17)19(22-12-18-11-21-13-24-18)10-14-2-6-16(20)7-3-14/h2-9,11,13,19,22H,10,12H2,1H3/t19-/m0/s1
InChIKeyWYAHAPPOYNGGTB-IBGZPJMESA-N
MW342.44 g/mol
LogP4.36
Rot. Bonds7

About (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine

(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 97234662) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID97234662
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCOc1ccc([C@H](Cc2ccc(F)cc2)NCc2cncs2)cc1
InChIInChI=1S/C19H19FN2OS/c1-23-17-8-4-15(5-9-17)19(22-12-18-11-21-13-24-18)10-14-2-6-16(20)7-3-14/h2-9,11,13,19,22H,10,12H2,1H3/t19-/m0/s1
InChIKeyWYAHAPPOYNGGTB-IBGZPJMESA-N
XLogP4.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 97234662) is (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is COc1ccc([C@H](Cc2ccc(F)cc2)NCc2cncs2)cc1.
What is the InChIKey of (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is WYAHAPPOYNGGTB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-23-17-8-4-15(5-9-17)19(22-12-18-11-21-13-24-18)10-14-2-6-16(20)7-3-14/h2-9,11,13,19,22H,10,12H2,1H3/t19-/m0/s1.
What are the key properties of (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 342.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 97234662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).