N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide

C22H20N4O2S — CID 55848568

IUPACN-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide
SMILESCn1cc(-c2nc(COc3ccccc3C(=O)NCc3ccccc3)cs2)cn1
InChIInChI=1S/C22H20N4O2S/c1-26-13-17(12-24-26)22-25-18(15-29-22)14-28-20-10-6-5-9-19(20)21(27)23-11-16-7-3-2-4-8-16/h2-10,12-13,15H,11,14H2,1H3,(H,23,27)
InChIKeyBSTYSGLORROETA-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.05
Rot. Bonds7

About N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide

N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide (PubChem CID 55848568) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide
PubChem CID55848568
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide
SMILESCn1cc(-c2nc(COc3ccccc3C(=O)NCc3ccccc3)cs2)cn1
InChIInChI=1S/C22H20N4O2S/c1-26-13-17(12-24-26)22-25-18(15-29-22)14-28-20-10-6-5-9-19(20)21(27)23-11-16-7-3-2-4-8-16/h2-10,12-13,15H,11,14H2,1H3,(H,23,27)
InChIKeyBSTYSGLORROETA-UHFFFAOYSA-N
XLogP4.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide?
The IUPAC name of N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide (CID 55848568) is N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide is Cn1cc(-c2nc(COc3ccccc3C(=O)NCc3ccccc3)cs2)cn1.
What is the InChIKey of N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide?
The InChIKey is BSTYSGLORROETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-26-13-17(12-24-26)22-25-18(15-29-22)14-28-20-10-6-5-9-19(20)21(27)23-11-16-7-3-2-4-8-16/h2-10,12-13,15H,11,14H2,1H3,(H,23,27).
What are the key properties of N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide?
N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide has a molecular weight of 404.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methoxy]benzamide is sourced from PubChem (CID 55848568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).