(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

C17H19FN4OS — CID 95277787

IUPAC(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN4OS/c1-13(10-22-8-2-7-20-22)19-9-15-12-24-17(21-15)11-23-16-5-3-14(18)4-6-16/h2-8,12-13,19H,9-11H2,1H3/t13-/m0/s1
InChIKeyGTJKWNYVFVRUDT-ZDUSSCGKSA-N
MW346.43 g/mol
LogP3.24
Rot. Bonds8

About (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95277787) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID95277787
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H19FN4OS/c1-13(10-22-8-2-7-20-22)19-9-15-12-24-17(21-15)11-23-16-5-3-14(18)4-6-16/h2-8,12-13,19H,9-11H2,1H3/t13-/m0/s1
InChIKeyGTJKWNYVFVRUDT-ZDUSSCGKSA-N
XLogP3.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine with MolForge

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Related Compounds

(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95278974
(2S)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277767
(2R)-N-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277768
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pentan-3-amine
CID 119113948
2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 18099156
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
(2S)-1-pyrazol-1-yl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 95276861
3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 16624139
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (CID 95277787) is (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is C[C@@H](Cn1cccn1)NCc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is GTJKWNYVFVRUDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-13(10-22-8-2-7-20-22)19-9-15-12-24-17(21-15)11-23-16-5-3-14(18)4-6-16/h2-8,12-13,19H,9-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?
(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 346.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95277787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).