N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

C26H25N5O3S — CID 55468361

IUPACN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1
InChIInChI=1S/C26H25N5O3S/c1-15(27-18(4)32)19-10-12-20(13-11-19)22-14-35-26(28-22)29-25(34)24(33)23-16(2)30-31(17(23)3)21-8-6-5-7-9-21/h5-15H,1-4H3,(H,27,32)(H,28,29,34)
InChIKeyABODHWCFJAAXSJ-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.63
Rot. Bonds7

About N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 55468361) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
PubChem CID55468361
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1
InChIInChI=1S/C26H25N5O3S/c1-15(27-18(4)32)19-10-12-20(13-11-19)22-14-35-26(28-22)29-25(34)24(33)23-16(2)30-31(17(23)3)21-8-6-5-7-9-21/h5-15H,1-4H3,(H,27,32)(H,28,29,34)
InChIKeyABODHWCFJAAXSJ-UHFFFAOYSA-N
XLogP4.63
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55468007
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55607661
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 55434284
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 46632717
N-[4-[1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]ethyl]phenyl]-4-fluorobenzamide
CID 55916937
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55434173
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55791811
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 17435792
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 55434940
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55464576
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylbenzamide
CID 55667953
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (CID 55468361) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)cc1.
What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The InChIKey is ABODHWCFJAAXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-15(27-18(4)32)19-10-12-20(13-11-19)22-14-35-26(28-22)29-25(34)24(33)23-16(2)30-31(17(23)3)21-8-6-5-7-9-21/h5-15H,1-4H3,(H,27,32)(H,28,29,34).
What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 487.59 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 55468361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).