2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C21H22N4O2S — CID 24779778

IUPAC2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1
InChIInChI=1S/C21H22N4O2S/c1-27-16-8-6-15(7-9-16)21-24-18(14-28-21)20(26)23-17-4-2-3-5-19(17)25-12-10-22-11-13-25/h2-9,14,22H,10-13H2,1H3,(H,23,26)
InChIKeyYXFATDKXNYDLAX-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.48
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24779778) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24779778
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1
InChIInChI=1S/C21H22N4O2S/c1-27-16-8-6-15(7-9-16)21-24-18(14-28-21)20(26)23-17-4-2-3-5-19(17)25-12-10-22-11-13-25/h2-9,14,22H,10-13H2,1H3,(H,23,26)
InChIKeyYXFATDKXNYDLAX-UHFFFAOYSA-N
XLogP3.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 24779778) is 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YXFATDKXNYDLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-27-16-8-6-15(7-9-16)21-24-18(14-28-21)20(26)23-17-4-2-3-5-19(17)25-12-10-22-11-13-25/h2-9,14,22H,10-13H2,1H3,(H,23,26).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24779778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).