N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C18H20ClN3O2S — CID 126795585

About N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 126795585) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
• PubChem CID: 126795585
• Molecular Formula: C18H20ClN3O2S
• Molecular Weight: 377.90 g/mol
• Exact Mass: 377.10
• IUPAC Name: N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCc3c(Cl)cccc32)cs1
• InChI: InChI=1S/C18H20ClN3O2S/c1-18(2,3)16(24)21-17-20-11(10-25-17)9-15(23)22-8-7-12-13(19)5-4-6-14(12)22/h4-6,10H,7-9H2,1-3H3,(H,20,21,24)
• InChIKey: LXEQNQDMWYNDET-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.90
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 126795585) is N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCc3c(Cl)cccc32)cs1.

What is the InChIKey of N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

The InChIKey is LXEQNQDMWYNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-18(2,3)16(24)21-17-20-11(10-25-17)9-15(23)22-8-7-12-13(19)5-4-6-14(12)22/h4-6,10H,7-9H2,1-3H3,(H,20,21,24).

What are the key properties of N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?

N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 377.90 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(4-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 126795585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).