N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C20H28N4OS — CID 46453077

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3csc(C(C)C)n3)cc2)CC1
InChIInChI=1S/C20H28N4OS/c1-4-23-9-11-24(12-10-23)18-7-5-16(6-8-18)21-19(25)13-17-14-26-20(22-17)15(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,25)
InChIKeyHDZJDHUTKFXCOI-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.59
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 46453077) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID46453077
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3csc(C(C)C)n3)cc2)CC1
InChIInChI=1S/C20H28N4OS/c1-4-23-9-11-24(12-10-23)18-7-5-16(6-8-18)21-19(25)13-17-14-26-20(22-17)15(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,25)
InChIKeyHDZJDHUTKFXCOI-UHFFFAOYSA-N
XLogP3.59
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.59
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

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38925497
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 39911925
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110386803
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110386804
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 42314937
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38921105
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 51213356
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24525541
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
2-(2-methyl-1,3-thiazol-4-yl)-N-[4-(triazol-2-yl)phenyl]acetamide
CID 86998526

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 46453077) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CCN1CCN(c2ccc(NC(=O)Cc3csc(C(C)C)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HDZJDHUTKFXCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-4-23-9-11-24(12-10-23)18-7-5-16(6-8-18)21-19(25)13-17-14-26-20(22-17)15(2)3/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 372.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46453077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).