N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C21H20N4OS2 — CID 134014092

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C21H20N4OS2/c1-14-18(15(2)25(24-14)17-7-4-3-5-8-17)12-22-20(26)11-16-13-28-21(23-16)19-9-6-10-27-19/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyCJJLEORTUUCCML-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.53
Rot. Bonds6

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 134014092) has the molecular formula C21H20N4OS2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID134014092
Molecular FormulaC21H20N4OS2
Molecular Weight408.55 g/mol
Exact Mass408.11
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C21H20N4OS2/c1-14-18(15(2)25(24-14)17-7-4-3-5-8-17)12-22-20(26)11-16-13-28-21(23-16)19-9-6-10-27-19/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyCJJLEORTUUCCML-UHFFFAOYSA-N
XLogP4.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 134014073
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24548715
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 56902393
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 134013955
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
N-[2-(ethylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119508736
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134021506

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 134014092) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CJJLEORTUUCCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS2/c1-14-18(15(2)25(24-14)17-7-4-3-5-8-17)12-22-20(26)11-16-13-28-21(23-16)19-9-6-10-27-19/h3-10,13H,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 408.55 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 134014092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).