N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane

C45H55Cl3N12O9S6 — CID 157050335

About N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane

N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane (PubChem CID 157050335) has the molecular formula C45H55Cl3N12O9S6 and a molecular weight of 1206.77 g/mol. Its IUPAC name is N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane.

Molecular Properties

• Compound Name: N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane
• PubChem CID: 157050335
• Molecular Formula: C45H55Cl3N12O9S6
• Molecular Weight: 1206.77 g/mol
• Exact Mass: 1204.16
• IUPAC Name: N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane
• SMILES: CC(=O)[C@@H]1CSC(c2csc(CNC(=O)CC(=O)C3(Cl)CC3)n2)=N1.CC(=O)c1csc(-c2csc(CNC(=O)CC(=O)C3(Cl)CC3)n2)n1.CC(=O)c1csc([C@@H]2CSC(CNC(=O)CC(=O)C3(Cl)CC3)=N2)n1.N.N.N
• InChI: InChI=1S/2C15H16ClN3O3S2.C15H14ClN3O3S2.3H3N/c3*1-8(20)9-6-24-14(19-9)10-7-23-13(18-10)5-17-12(22)4-11(21)15(16)2-3-15;;;/h7,9H,2-6H2,1H3,(H,17,22);6,10H,2-5,7H2,1H3,(H,17,22);6-7H,2-5H2,1H3,(H,17,22);3*1H3/t9-;10-;;;;/m00..../s1
• InChIKey: MFBNLZFVKYROEG-DDOOFSACSA-N
• XLogP: 7.62
• TPSA: 371.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1206.77
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane?

The IUPAC name of N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane (CID 157050335) is N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane.

What is the SMILES notation for N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane?

The canonical SMILES for N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane is CC(=O)[C@@H]1CSC(c2csc(CNC(=O)CC(=O)C3(Cl)CC3)n2)=N1.CC(=O)c1csc(-c2csc(CNC(=O)CC(=O)C3(Cl)CC3)n2)n1.CC(=O)c1csc([C@@H]2CSC(CNC(=O)CC(=O)C3(Cl)CC3)=N2)n1.N.N.N.

What is the InChIKey of N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane?

The InChIKey is MFBNLZFVKYROEG-DDOOFSACSA-N. The full InChI is InChI=1S/2C15H16ClN3O3S2.C15H14ClN3O3S2.3H3N/c3*1-8(20)9-6-24-14(19-9)10-7-23-13(18-10)5-17-12(22)4-11(21)15(16)2-3-15;;;/h7,9H,2-6H2,1H3,(H,17,22);6,10H,2-5,7H2,1H3,(H,17,22);6-7H,2-5H2,1H3,(H,17,22);3*1H3/t9-;10-;;;;/m00..../s1.

What are the key properties of N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane?

N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane has a molecular weight of 1206.77 g/mol, XLogP of 7.62, 21 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane is sourced from PubChem (CID 157050335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).