2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide

C53H37ClF3N13O6S3 — CID 157419381

About 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide

2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide (PubChem CID 157419381) has the molecular formula C53H37ClF3N13O6S3 and a molecular weight of 1140.61 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
• PubChem CID: 157419381
• Molecular Formula: C53H37ClF3N13O6S3
• Molecular Weight: 1140.61 g/mol
• Exact Mass: 1139.18
• IUPAC Name: 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide
• SMILES: Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2F)s1.Cn1nc(-c2ncco2)cc1-c1ncc(NC(=O)c2ccccc2Cl)s1
• InChI: InChI=1S/C18H12F2N4O2S.C18H13FN4O2S.C17H12ClN5O2S/c1-24-13(8-12(23-24)14-6-3-7-26-14)18-21-9-15(27-18)22-17(25)16-10(19)4-2-5-11(16)20;1-23-14(9-13(22-23)15-7-4-8-25-15)18-20-10-16(26-18)21-17(24)11-5-2-3-6-12(11)19;1-23-13(8-12(22-23)16-19-6-7-25-16)17-20-9-14(26-17)21-15(24)10-4-2-3-5-11(10)18/h2-9H,1H3,(H,22,25);2-10H,1H3,(H,21,24);2-9H,1H3,(H,21,24)
• InChIKey: BPFOGESFPIZLMN-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 231.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1140.61
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide?

The IUPAC name of 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide (CID 157419381) is 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide?

The canonical SMILES for 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide is Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2F)s1.Cn1nc(-c2ncco2)cc1-c1ncc(NC(=O)c2ccccc2Cl)s1.

What is the InChIKey of 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide?

The InChIKey is BPFOGESFPIZLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S.C18H13FN4O2S.C17H12ClN5O2S/c1-24-13(8-12(23-24)14-6-3-7-26-14)18-21-9-15(27-18)22-17(25)16-10(19)4-2-5-11(16)20;1-23-14(9-13(22-23)15-7-4-8-25-15)18-20-10-16(26-18)21-17(24)11-5-2-3-6-12(11)19;1-23-13(8-12(22-23)16-19-6-7-25-16)17-20-9-14(26-17)21-15(24)10-4-2-3-5-11(10)18/h2-9H,1H3,(H,22,25);2-10H,1H3,(H,21,24);2-9H,1H3,(H,21,24).

What are the key properties of 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide?

2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide has a molecular weight of 1140.61 g/mol, XLogP of 12.63, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[1-methyl-3-(1,3-oxazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2,6-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide;2-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 157419381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).