(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide

C20H27N3O2S — CID 147896542

About (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide

(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide (PubChem CID 147896542) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide
• PubChem CID: 147896542
• Molecular Formula: C20H27N3O2S
• Molecular Weight: 373.52 g/mol
• Exact Mass: 373.18
• IUPAC Name: (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide
• SMILES: Cc1ccc2nc(CC(=O)CNC(=O)[C@H](N)CC3CCCCC3)sc2c1
• InChI: InChI=1S/C20H27N3O2S/c1-13-7-8-17-18(9-13)26-19(23-17)11-15(24)12-22-20(25)16(21)10-14-5-3-2-4-6-14/h7-9,14,16H,2-6,10-12,21H2,1H3,(H,22,25)/t16-/m1/s1
• InChIKey: IDKIIFACLHNEIB-MRXNPFEDSA-N
• XLogP: 3.13
• TPSA: 85.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.52
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide?

The IUPAC name of (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide (CID 147896542) is (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide.

What is the SMILES notation for (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide?

The canonical SMILES for (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide is Cc1ccc2nc(CC(=O)CNC(=O)[C@H](N)CC3CCCCC3)sc2c1.

What is the InChIKey of (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide?

The InChIKey is IDKIIFACLHNEIB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-13-7-8-17-18(9-13)26-19(23-17)11-15(24)12-22-20(25)16(21)10-14-5-3-2-4-6-14/h7-9,14,16H,2-6,10-12,21H2,1H3,(H,22,25)/t16-/m1/s1.

What are the key properties of (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide?

(2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide has a molecular weight of 373.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-cyclohexyl-N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropyl]propanamide is sourced from PubChem (CID 147896542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).