2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C24H28N4OS — CID 46430563

IUPAC2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3sc(Cc4ccccc4)nc3C)cc2)CC1
InChIInChI=1S/C24H28N4OS/c1-3-27-13-15-28(16-14-27)21-11-9-20(10-12-21)26-24(29)23-18(2)25-22(30-23)17-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,26,29)
InChIKeyQRKQOAIEILHKPE-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.44
Rot. Bonds6

About 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 46430563) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID46430563
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3sc(Cc4ccccc4)nc3C)cc2)CC1
InChIInChI=1S/C24H28N4OS/c1-3-27-13-15-28(16-14-27)21-11-9-20(10-12-21)26-24(29)23-18(2)25-22(30-23)17-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,26,29)
InChIKeyQRKQOAIEILHKPE-UHFFFAOYSA-N
XLogP4.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 39080600
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 110374899
2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35534478
2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
CID 46437904
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 7594221
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387166

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 46430563) is 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is CCN1CCN(c2ccc(NC(=O)c3sc(Cc4ccccc4)nc3C)cc2)CC1.
What is the InChIKey of 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QRKQOAIEILHKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-3-27-13-15-28(16-14-27)21-11-9-20(10-12-21)26-24(29)23-18(2)25-22(30-23)17-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3,(H,26,29).
What are the key properties of 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46430563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).