N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide

C20H16N4OS — CID 2123128

IUPACN-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)n1
InChIInChI=1S/C20H16N4OS/c1-14-13-26-20(22-14)17-12-21-24(16-10-6-3-7-11-16)18(17)23-19(25)15-8-4-2-5-9-15/h2-13H,1H3,(H,23,25)
InChIKeyHUAUTAHFJLXIKL-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.56
Rot. Bonds4

About N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide

N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 2123128) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID2123128
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)n1
InChIInChI=1S/C20H16N4OS/c1-14-13-26-20(22-14)17-12-21-24(16-10-6-3-7-11-16)18(17)23-19(25)15-8-4-2-5-9-15/h2-13H,1H3,(H,23,25)
InChIKeyHUAUTAHFJLXIKL-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide 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-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide (CID 2123128) is N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide is Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is HUAUTAHFJLXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-14-13-26-20(22-14)17-12-21-24(16-10-6-3-7-11-16)18(17)23-19(25)15-8-4-2-5-9-15/h2-13H,1H3,(H,23,25).
What are the key properties of N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide?
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 360.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 2123128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).