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

C23H24N4O4S — CID 89459581

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

(2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89459581) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is (2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

• Compound Name: (2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
• PubChem CID: 89459581
• Molecular Formula: C23H24N4O4S
• Molecular Weight: 452.54 g/mol
• Exact Mass: 452.15
• IUPAC Name: (2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
• SMILES: CCn1cc2cc(COC(=O)Nc3sc(-c4ccc(OC)cc4OC)nc3C)ccc2n1
• InChI: InChI=1S/C23H24N4O4S/c1-5-27-12-16-10-15(6-9-19(16)26-27)13-31-23(28)25-21-14(2)24-22(32-21)18-8-7-17(29-3)11-20(18)30-4/h6-12H,5,13H2,1-4H3,(H,25,28)
• InChIKey: IOSZWTQSYAWOLF-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 87.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.54
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89459581) is (2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

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

The canonical SMILES for (2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is CCn1cc2cc(COC(=O)Nc3sc(-c4ccc(OC)cc4OC)nc3C)ccc2n1.

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

The InChIKey is IOSZWTQSYAWOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-5-27-12-16-10-15(6-9-19(16)26-27)13-31-23(28)25-21-14(2)24-22(32-21)18-8-7-17(29-3)11-20(18)30-4/h6-12H,5,13H2,1-4H3,(H,25,28).

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

(2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 452.54 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89459581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).