2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide

C21H16F2N4O2S — CID 25281974

IUPAC2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
SMILESCOc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3F)n2)c1
InChIInChI=1S/C21H16F2N4O2S/c1-12-9-18(25-20(28)19-15(22)7-4-8-16(19)23)27(26-12)21-24-17(11-30-21)13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,25,28)
InChIKeyLPSAPUNWPFKWMI-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.84
Rot. Bonds5

About 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide

2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide (PubChem CID 25281974) has the molecular formula C21H16F2N4O2S and a molecular weight of 426.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
PubChem CID25281974
Molecular FormulaC21H16F2N4O2S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC Name2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
SMILESCOc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3F)n2)c1
InChIInChI=1S/C21H16F2N4O2S/c1-12-9-18(25-20(28)19-15(22)7-4-8-16(19)23)27(26-12)21-24-17(11-30-21)13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,25,28)
InChIKeyLPSAPUNWPFKWMI-UHFFFAOYSA-N
XLogP4.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazole scaffold, 13
CID 25218469
N-(4-{2-[5-(3-Methoxy-phenyl)-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl]-acetyl}-phenyl)-acetamide
CID 651911
3-(3-methoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 2201062
N-(4-Ethylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015330
N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 25282247
1H-Pyrazol-5-amine, 3-(4-methoxyphenyl)-1-(4-phenyl-2-thiazolyl)-
CID 852600
1-[2-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135508281
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 2352185
N-(3-Acetylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015332
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-N-(4-methoxyphenyl)-1-prop-2-enylpyrazole-3-carboxamide
CID 46221818
N-[4-[1-amino-2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 49792745
1-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135464015

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide (CID 25281974) is 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide is COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3F)n2)c1.
What is the InChIKey of 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide?
The InChIKey is LPSAPUNWPFKWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2S/c1-12-9-18(25-20(28)19-15(22)7-4-8-16(19)23)27(26-12)21-24-17(11-30-21)13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,25,28).
What are the key properties of 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide?
2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide has a molecular weight of 426.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 25281974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).