2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide

C23H21FN4O3S — CID 25281896

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1OC
InChIInChI=1S/C23H21FN4O3S/c1-14-10-21(26-22(29)12-15-4-9-19(30-2)20(11-15)31-3)28(27-14)23-25-18(13-32-23)16-5-7-17(24)8-6-16/h4-11,13H,12H2,1-3H3,(H,26,29)
InChIKeyBSYOYNSEIWTKSZ-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.64
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide (PubChem CID 25281896) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
PubChem CID25281896
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1OC
InChIInChI=1S/C23H21FN4O3S/c1-14-10-21(26-22(29)12-15-4-9-19(30-2)20(11-15)31-3)28(27-14)23-25-18(13-32-23)16-5-7-17(24)8-6-16/h4-11,13H,12H2,1-3H3,(H,26,29)
InChIKeyBSYOYNSEIWTKSZ-UHFFFAOYSA-N
XLogP4.64
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide (CID 25281896) is 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide is COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide?
The InChIKey is BSYOYNSEIWTKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-14-10-21(26-22(29)12-15-4-9-19(30-2)20(11-15)31-3)28(27-14)23-25-18(13-32-23)16-5-7-17(24)8-6-16/h4-11,13H,12H2,1-3H3,(H,26,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide has a molecular weight of 452.51 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 25281896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).