N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

C23H17ClFN3O2S — CID 30142497

About N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 30142497) has the molecular formula C23H17ClFN3O2S and a molecular weight of 453.93 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 30142497
• Molecular Formula: C23H17ClFN3O2S
• Molecular Weight: 453.93 g/mol
• Exact Mass: 453.07
• IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1
• InChI: InChI=1S/C23H17ClFN3O2S/c1-14-21(31-23(26-14)27-17-10-8-16(25)9-11-17)22(29)28-19-13-15(24)7-12-20(19)30-18-5-3-2-4-6-18/h2-13H,1H3,(H,26,27)(H,28,29)
• InChIKey: FAOBGXRVWBOVGR-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.93
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 30142497) is N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1.

What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is FAOBGXRVWBOVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2S/c1-14-21(31-23(26-14)27-17-10-8-16(25)9-11-17)22(29)28-19-13-15(24)7-12-20(19)30-18-5-3-2-4-6-18/h2-13H,1H3,(H,26,27)(H,28,29).

What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?

N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 7.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30142497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).