3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

C24H23N5O3S — CID 43072146

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCc1nc(COc2cccc(C(=O)Nc3cccc(NC(=O)C(C)n4cccn4)c3)c2)cs1
InChIInChI=1S/C24H23N5O3S/c1-16(29-11-5-10-25-29)23(30)27-19-7-4-8-20(13-19)28-24(31)18-6-3-9-22(12-18)32-14-21-15-33-17(2)26-21/h3-13,15-16H,14H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyKKTGFBZDLUDBDS-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.68
Rot. Bonds8

About 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (PubChem CID 43072146) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
PubChem CID43072146
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
SMILESCc1nc(COc2cccc(C(=O)Nc3cccc(NC(=O)C(C)n4cccn4)c3)c2)cs1
InChIInChI=1S/C24H23N5O3S/c1-16(29-11-5-10-25-29)23(30)27-19-7-4-8-20(13-19)28-24(31)18-6-3-9-22(12-18)32-14-21-15-33-17(2)26-21/h3-13,15-16H,14H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyKKTGFBZDLUDBDS-UHFFFAOYSA-N
XLogP4.68
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide (CID 43072146) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is Cc1nc(COc2cccc(C(=O)Nc3cccc(NC(=O)C(C)n4cccn4)c3)c2)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
The InChIKey is KKTGFBZDLUDBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-16(29-11-5-10-25-29)23(30)27-19-7-4-8-20(13-19)28-24(31)18-6-3-9-22(12-18)32-14-21-15-33-17(2)26-21/h3-13,15-16H,14H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide?
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide has a molecular weight of 461.55 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 43072146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).