N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

C24H16F2N6O2S — CID 90317760

About N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 90317760) has the molecular formula C24H16F2N6O2S and a molecular weight of 490.50 g/mol. Its IUPAC name is N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
• PubChem CID: 90317760
• Molecular Formula: C24H16F2N6O2S
• Molecular Weight: 490.50 g/mol
• Exact Mass: 490.10
• IUPAC Name: N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1
• InChI: InChI=1S/C24H16F2N6O2S/c1-13-22(24(35-32-13)31-20-12-27-17-4-2-3-5-18(17)30-20)23(33)29-15-7-9-21(28-11-15)34-19-8-6-14(25)10-16(19)26/h2-12H,1H3,(H,29,33)(H,30,31)
• InChIKey: ZCBDCBYMQWSSIX-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 101.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.50
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?

The IUPAC name of N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (CID 90317760) is N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1.

What is the InChIKey of N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?

The InChIKey is ZCBDCBYMQWSSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N6O2S/c1-13-22(24(35-32-13)31-20-12-27-17-4-2-3-5-18(17)30-20)23(33)29-15-7-9-21(28-11-15)34-19-8-6-14(25)10-16(19)26/h2-12H,1H3,(H,29,33)(H,30,31).

What are the key properties of N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?

N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 490.50 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 90317760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).