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

C20H18N4OS2 — CID 38820690

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)Cc2csc(-c3cccs3)n2)n1
InChIInChI=1S/C20H18N4OS2/c1-13-10-14(2)24(23-13)17-7-4-3-6-16(17)22-19(25)11-15-12-27-20(21-15)18-8-5-9-26-18/h3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyYKDNRFOKUJBTNL-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.86
Rot. Bonds5

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

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 38820690) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID38820690
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)Cc2csc(-c3cccs3)n2)n1
InChIInChI=1S/C20H18N4OS2/c1-13-10-14(2)24(23-13)17-7-4-3-6-16(17)22-19(25)11-15-12-27-20(21-15)18-8-5-9-26-18/h3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyYKDNRFOKUJBTNL-UHFFFAOYSA-N
XLogP4.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
CID 5309163
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-phenylacetamide
CID 18562615
2-(1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-methyl-N-(thiophen-2-ylmethyl)thiazole-5-carboxamide
CID 45500341
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16575297
N-(2-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858231
N-(3-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858232
N-(4-fluorophenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858233
N-(3,4-difluorophenyl)-2-((6-(4-methyl-2-(thiophen-2-yl)thiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 18562688
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 26725814
N-(4-fluorophenyl)-2-((6-(4-methyl-2-(thiophen-2-yl)thiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 27461180
N-(2,4-difluorophenyl)-2-((6-(4-methyl-2-(thiophen-2-yl)thiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 27461187
N-(3-fluorophenyl)-2-((6-(4-methyl-2-(thiophen-2-yl)thiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 27461190

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 38820690) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is Cc1cc(C)n(-c2ccccc2NC(=O)Cc2csc(-c3cccs3)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YKDNRFOKUJBTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-13-10-14(2)24(23-13)17-7-4-3-6-16(17)22-19(25)11-15-12-27-20(21-15)18-8-5-9-26-18/h3-10,12H,11H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 394.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 38820690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).