N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide

C27H23FN4O3S — CID 66812491

About N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide

N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide (PubChem CID 66812491) has the molecular formula C27H23FN4O3S and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide
• PubChem CID: 66812491
• Molecular Formula: C27H23FN4O3S
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.15
• IUPAC Name: N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide
• SMILES: COc1cccc([C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)c2nccs2)c1
• InChI: InChI=1S/C27H23FN4O3S/c1-17(31-26(33)27-29-12-13-36-27)25(18-4-3-5-22(14-18)34-2)35-23-10-11-24-19(15-23)16-30-32(24)21-8-6-20(28)7-9-21/h3-17,25H,1-2H3,(H,31,33)/t17-,25+/m0/s1
• InChIKey: RBGRWAONVSOYFP-SSOJOUAXSA-N
• XLogP: 5.57
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide (CID 66812491) is N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide is COc1cccc([C@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)c2nccs2)c1.

What is the InChIKey of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide?

The InChIKey is RBGRWAONVSOYFP-SSOJOUAXSA-N. The full InChI is InChI=1S/C27H23FN4O3S/c1-17(31-26(33)27-29-12-13-36-27)25(18-4-3-5-22(14-18)34-2)35-23-10-11-24-19(15-23)16-30-32(24)21-8-6-20(28)7-9-21/h3-17,25H,1-2H3,(H,31,33)/t17-,25+/m0/s1.

What are the key properties of N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide?

N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 502.57 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66812491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).