2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate

C23H31N3O3S — CID 108731081

About 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate

2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 108731081) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

• Compound Name: 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate
• PubChem CID: 108731081
• Molecular Formula: C23H31N3O3S
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.21
• IUPAC Name: 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate
• SMILES: CCCCC(CC)COC(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1
• InChI: InChI=1S/C23H31N3O3S/c1-6-8-9-15(7-2)13-29-22(28)25-21-24-18(14-30-21)16-10-11-19-17(12-16)23(3,4)20(27)26(19)5/h10-12,14-15H,6-9,13H2,1-5H3,(H,24,25,28)
• InChIKey: VTNZERIQLYYQBB-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate?

The IUPAC name of 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate (CID 108731081) is 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate.

What is the SMILES notation for 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate?

The canonical SMILES for 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate is CCCCC(CC)COC(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1.

What is the InChIKey of 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate?

The InChIKey is VTNZERIQLYYQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-6-8-9-15(7-2)13-29-22(28)25-21-24-18(14-30-21)16-10-11-19-17(12-16)23(3,4)20(27)26(19)5/h10-12,14-15H,6-9,13H2,1-5H3,(H,24,25,28).

What are the key properties of 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate?

2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 429.59 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethylhexyl N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 108731081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).