3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide

C22H18F2N4O2S — CID 86948216

IUPAC3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)n1
InChIInChI=1S/C22H18F2N4O2S/c1-3-30-19-7-5-4-6-15(19)18-12-31-22(25-18)26-21(29)16-11-28(2)27-20(16)14-9-8-13(23)10-17(14)24/h4-12H,3H2,1-2H3,(H,25,26,29)
InChIKeyAJVZNTVZHAKTID-UHFFFAOYSA-N
MW440.48 g/mol
LogP5.14
Rot. Bonds6

About 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide

3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 86948216) has the molecular formula C22H18F2N4O2S and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID86948216
Molecular FormulaC22H18F2N4O2S
Molecular Weight440.48 g/mol
Exact Mass440.11
IUPAC Name3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)n1
InChIInChI=1S/C22H18F2N4O2S/c1-3-30-19-7-5-4-6-15(19)18-12-31-22(25-18)26-21(29)16-11-28(2)27-20(16)14-9-8-13(23)10-17(14)24/h4-12H,3H2,1-2H3,(H,25,26,29)
InChIKeyAJVZNTVZHAKTID-UHFFFAOYSA-N
XLogP5.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 56555447
3-(2,4-difluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 86948039
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 86947975
3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948076
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate
CID 86948177
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide (CID 86948216) is 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide is CCOc1ccccc1-c1csc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is AJVZNTVZHAKTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2S/c1-3-30-19-7-5-4-6-15(19)18-12-31-22(25-18)26-21(29)16-11-28(2)27-20(16)14-9-8-13(23)10-17(14)24/h4-12H,3H2,1-2H3,(H,25,26,29).
What are the key properties of 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide?
3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86948216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).