2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

C23H26N4O2S — CID 71840401

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(N2CCN(c3nc(C(=O)NCc4ccccc4C)cs3)CC2)cc1
InChIInChI=1S/C23H26N4O2S/c1-17-5-3-4-6-18(17)15-24-22(28)21-16-30-23(25-21)27-13-11-26(12-14-27)19-7-9-20(29-2)10-8-19/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyHAFRUSFIJJIHBC-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.72
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 71840401) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID71840401
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(N2CCN(c3nc(C(=O)NCc4ccccc4C)cs3)CC2)cc1
InChIInChI=1S/C23H26N4O2S/c1-17-5-3-4-6-18(17)15-24-22(28)21-16-30-23(25-21)27-13-11-26(12-14-27)19-7-9-20(29-2)10-8-19/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyHAFRUSFIJJIHBC-UHFFFAOYSA-N
XLogP3.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53161077
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161039
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161069
N-(furan-2-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71830078
N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71840393
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
N-[(4-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161103
N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71840295
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 71840415
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 117094105
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 71840401) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(N2CCN(c3nc(C(=O)NCc4ccccc4C)cs3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HAFRUSFIJJIHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-17-5-3-4-6-18(17)15-24-22(28)21-16-30-23(25-21)27-13-11-26(12-14-27)19-7-9-20(29-2)10-8-19/h3-10,16H,11-15H2,1-2H3,(H,24,28).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).