N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C22H20N4O2S — CID 117087650

IUPACN-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C22H20N4O2S/c1-14-20(15(2)26(3)25-14)22-23-13-19(29-22)21(27)24-16-9-11-18(12-10-16)28-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,27)
InChIKeyNCQUWNCLQKDQNZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.21
Rot. Bonds5

About N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117087650) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID117087650
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1ncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C22H20N4O2S/c1-14-20(15(2)26(3)25-14)22-23-13-19(29-22)21(27)24-16-9-11-18(12-10-16)28-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,27)
InChIKeyNCQUWNCLQKDQNZ-UHFFFAOYSA-N
XLogP5.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide 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-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 117087650) is N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nn(C)c(C)c1-c1ncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NCQUWNCLQKDQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-14-20(15(2)26(3)25-14)22-23-13-19(29-22)21(27)24-16-9-11-18(12-10-16)28-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,27).
What are the key properties of N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117087650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).