N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide

C26H29N5O2S — CID 46265474

IUPACN-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(Cc2c(C)nn(-c3nc(CC(=O)Nc4ccc(N(C)C)cc4)cs3)c2C)cc1
InChIInChI=1S/C26H29N5O2S/c1-17-24(14-19-6-12-23(33-5)13-7-19)18(2)31(29-17)26-28-21(16-34-26)15-25(32)27-20-8-10-22(11-9-20)30(3)4/h6-13,16H,14-15H2,1-5H3,(H,27,32)
InChIKeyFXYFJPQOHORILI-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.79
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide

N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide (PubChem CID 46265474) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
PubChem CID46265474
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(Cc2c(C)nn(-c3nc(CC(=O)Nc4ccc(N(C)C)cc4)cs3)c2C)cc1
InChIInChI=1S/C26H29N5O2S/c1-17-24(14-19-6-12-23(33-5)13-7-19)18(2)31(29-17)26-28-21(16-34-26)15-25(32)27-20-8-10-22(11-9-20)30(3)4/h6-13,16H,14-15H2,1-5H3,(H,27,32)
InChIKeyFXYFJPQOHORILI-UHFFFAOYSA-N
XLogP4.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265469
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50746050
2-[2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 46265369
N-(4-fluorophenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 50751083
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 46265433
2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46265421
2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 50751077
2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 46265496
N-(5-chloro-2-methylphenyl)-2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265419
2-(4-benzyl-3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46263558
N-butyl-2-[2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
CID 46265407
N-(4-chlorophenyl)-2-[2-(3,5-dimethyl-4-pentylpyrazol-1-yl)-1,3-thiazol-4-yl]acetamide
CID 46269623

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide (CID 46265474) is N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide is COc1ccc(Cc2c(C)nn(-c3nc(CC(=O)Nc4ccc(N(C)C)cc4)cs3)c2C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is FXYFJPQOHORILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-17-24(14-19-6-12-23(33-5)13-7-19)18(2)31(29-17)26-28-21(16-34-26)15-25(32)27-20-8-10-22(11-9-20)30(3)4/h6-13,16H,14-15H2,1-5H3,(H,27,32).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?
N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 475.62 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[2-[4-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46265474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).