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

C21H17FN4O2S — CID 16623088

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3cnn(-c4ccccc4)c3)n2)cc1F
InChIInChI=1S/C21H17FN4O2S/c1-28-19-8-7-15(10-17(19)22)18-13-29-21(24-18)25-20(27)9-14-11-23-26(12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3,(H,24,25,27)
InChIKeyOPMDBGUVRSWPJV-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.32
Rot. Bonds6

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

N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16623088) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16623088
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3cnn(-c4ccccc4)c3)n2)cc1F
InChIInChI=1S/C21H17FN4O2S/c1-28-19-8-7-15(10-17(19)22)18-13-29-21(24-18)25-20(27)9-14-11-23-26(12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3,(H,24,25,27)
InChIKeyOPMDBGUVRSWPJV-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 16623088) is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide is COc1ccc(-c2csc(NC(=O)Cc3cnn(-c4ccccc4)c3)n2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is OPMDBGUVRSWPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-28-19-8-7-15(10-17(19)22)18-13-29-21(24-18)25-20(27)9-14-11-23-26(12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 408.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16623088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).