N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide

C22H20N4OS — CID 16621598

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCc1ccc(-c2csc(NC(=O)Cc3cnn(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C22H20N4OS/c1-2-16-8-10-18(11-9-16)20-15-28-22(24-20)25-21(27)12-17-13-23-26(14-17)19-6-4-3-5-7-19/h3-11,13-15H,2,12H2,1H3,(H,24,25,27)
InChIKeyZJGHDGAERNOSHL-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.74
Rot. Bonds6

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16621598) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16621598
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCc1ccc(-c2csc(NC(=O)Cc3cnn(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C22H20N4OS/c1-2-16-8-10-18(11-9-16)20-15-28-22(24-20)25-21(27)12-17-13-23-26(14-17)19-6-4-3-5-7-19/h3-11,13-15H,2,12H2,1H3,(H,24,25,27)
InChIKeyZJGHDGAERNOSHL-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7918142
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622498
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084
N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614963
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)acetamide
CID 110503150

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 16621598) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide is CCc1ccc(-c2csc(NC(=O)Cc3cnn(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is ZJGHDGAERNOSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-2-16-8-10-18(11-9-16)20-15-28-22(24-20)25-21(27)12-17-13-23-26(14-17)19-6-4-3-5-7-19/h3-11,13-15H,2,12H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 388.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16621598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).