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

C19H23N3O2S — CID 108754604

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

3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 108754604) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide
• PubChem CID: 108754604
• Molecular Formula: C19H23N3O2S
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.15
• IUPAC Name: 3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide
• SMILES: CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3C)cs1
• InChI: InChI=1S/C19H23N3O2S/c1-11(2)8-16(23)21-18-20-14(10-25-18)12-6-7-15-13(9-12)19(3,4)17(24)22(15)5/h6-7,9-11H,8H2,1-5H3,(H,20,21,23)
• InChIKey: KIIRUVVRYYFKJG-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide (CID 108754604) is 3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide.

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

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

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

The InChIKey is KIIRUVVRYYFKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-11(2)8-16(23)21-18-20-14(10-25-18)12-6-7-15-13(9-12)19(3,4)17(24)22(15)5/h6-7,9-11H,8H2,1-5H3,(H,20,21,23).

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

3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 357.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 108754604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).