(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate

C23H23FN4O3S — CID 89469741

About (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate

(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 89469741) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

• Compound Name: (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
• PubChem CID: 89469741
• Molecular Formula: C23H23FN4O3S
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.15
• IUPAC Name: (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
• SMILES: CCc1nc(-c2ccc(F)cc2OC)sc1NC(=O)OCc1ccc2c(cnn2CC)c1
• InChI: InChI=1S/C23H23FN4O3S/c1-4-18-22(32-21(26-18)17-8-7-16(24)11-20(17)30-3)27-23(29)31-13-14-6-9-19-15(10-14)12-25-28(19)5-2/h6-12H,4-5,13H2,1-3H3,(H,27,29)
• InChIKey: AUUWZWGJVMNFFS-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?

The IUPAC name of (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate (CID 89469741) is (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate.

What is the SMILES notation for (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?

The canonical SMILES for (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate is CCc1nc(-c2ccc(F)cc2OC)sc1NC(=O)OCc1ccc2c(cnn2CC)c1.

What is the InChIKey of (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?

The InChIKey is AUUWZWGJVMNFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-4-18-22(32-21(26-18)17-8-7-16(24)11-20(17)30-3)27-23(29)31-13-14-6-9-19-15(10-14)12-25-28(19)5-2/h6-12H,4-5,13H2,1-3H3,(H,27,29).

What are the key properties of (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?

(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 454.53 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).