N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C21H18FN5O3S — CID 86887308

About N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 86887308) has the molecular formula C21H18FN5O3S and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
• PubChem CID: 86887308
• Molecular Formula: C21H18FN5O3S
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.11
• IUPAC Name: N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
• SMILES: COc1ccc(F)cc1-c1csc(NC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)n1
• InChI: InChI=1S/C21H18FN5O3S/c1-11(23-20(29)18-13-5-3-4-6-15(13)26-27-18)19(28)25-21-24-16(10-31-21)14-9-12(22)7-8-17(14)30-2/h3-11H,1-2H3,(H,23,29)(H,26,27)(H,24,25,28)
• InChIKey: FDPQLGCTFRVRNM-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 86887308) is N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is COc1ccc(F)cc1-c1csc(NC(=O)C(C)NC(=O)c2n[nH]c3ccccc23)n1.

What is the InChIKey of N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?

The InChIKey is FDPQLGCTFRVRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3S/c1-11(23-20(29)18-13-5-3-4-6-15(13)26-27-18)19(28)25-21-24-16(10-31-21)14-9-12(22)7-8-17(14)30-2/h3-11H,1-2H3,(H,23,29)(H,26,27)(H,24,25,28).

What are the key properties of N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?

N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86887308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).