N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine

C17H19FN4OS — CID 46993774

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1nccs1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4OS/c1-23-8-7-22(12-16-19-6-9-24-16)11-14-10-20-21-17(14)13-2-4-15(18)5-3-13/h2-6,9-10H,7-8,11-12H2,1H3,(H,20,21)
InChIKeyPOIYNZGLVIEDSL-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.32
Rot. Bonds8

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 46993774) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID46993774
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1nccs1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H19FN4OS/c1-23-8-7-22(12-16-19-6-9-24-16)11-14-10-20-21-17(14)13-2-4-15(18)5-3-13/h2-6,9-10H,7-8,11-12H2,1H3,(H,20,21)
InChIKeyPOIYNZGLVIEDSL-UHFFFAOYSA-N
XLogP3.32
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 46993774) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine is COCCN(Cc1nccs1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is POIYNZGLVIEDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-23-8-7-22(12-16-19-6-9-24-16)11-14-10-20-21-17(14)13-2-4-15(18)5-3-13/h2-6,9-10H,7-8,11-12H2,1H3,(H,20,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 346.43 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 46993774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).