2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide

C21H17FN4OS — CID 25281726

IUPAC2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
SMILESCc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C21H17FN4OS/c1-13-7-9-15(10-8-13)18-12-28-21(23-18)26-19(11-14(2)25-26)24-20(27)16-5-3-4-6-17(16)22/h3-12H,1-2H3,(H,24,27)
InChIKeyRQXWYEVTCPCFLO-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.00
Rot. Bonds4

About 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide

2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide (PubChem CID 25281726) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
PubChem CID25281726
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC Name2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
SMILESCc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C21H17FN4OS/c1-13-7-9-15(10-8-13)18-12-28-21(23-18)26-19(11-14(2)25-26)24-20(27)16-5-3-4-6-17(16)22/h3-12H,1-2H3,(H,24,27)
InChIKeyRQXWYEVTCPCFLO-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide (CID 25281726) is 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide is Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3F)n2)cc1.
What is the InChIKey of 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide?
The InChIKey is RQXWYEVTCPCFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c1-13-7-9-15(10-8-13)18-12-28-21(23-18)26-19(11-14(2)25-26)24-20(27)16-5-3-4-6-17(16)22/h3-12H,1-2H3,(H,24,27).
What are the key properties of 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide?
2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 25281726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).