N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C18H21FN4OS — CID 70782384

IUPACN-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)CCc2scnc2C)c(F)c1
InChIInChI=1S/C18H21FN4OS/c1-12-17(25-11-20-12)6-7-23(2)10-13-9-21-22-18(13)15-5-4-14(24-3)8-16(15)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,21,22)
InChIKeyWWTSDFGUOHJVCN-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.66
Rot. Bonds7

About N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 70782384) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID70782384
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)CCc2scnc2C)c(F)c1
InChIInChI=1S/C18H21FN4OS/c1-12-17(25-11-20-12)6-7-23(2)10-13-9-21-22-18(13)15-5-4-14(24-3)8-16(15)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,21,22)
InChIKeyWWTSDFGUOHJVCN-UHFFFAOYSA-N
XLogP3.66
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 70782384) is N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is COc1ccc(-c2[nH]ncc2CN(C)CCc2scnc2C)c(F)c1.
What is the InChIKey of N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is WWTSDFGUOHJVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-12-17(25-11-20-12)6-7-23(2)10-13-9-21-22-18(13)15-5-4-14(24-3)8-16(15)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,21,22).
What are the key properties of N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 360.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 70782384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).