N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride

C18H26Cl3N3O2S — CID 119608769

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119608769) has the molecular formula C18H26Cl3N3O2S and a molecular weight of 454.85 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
• PubChem CID: 119608769
• Molecular Formula: C18H26Cl3N3O2S
• Molecular Weight: 454.85 g/mol
• Exact Mass: 453.08
• IUPAC Name: N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
• SMILES: CC(C)C(C)(CN)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1.Cl.Cl
• InChI: InChI=1S/C18H24ClN3O2S.2ClH/c1-12(2)18(3,11-20)22-16(23)8-14-10-25-17(21-14)9-24-15-6-4-13(19)5-7-15;;/h4-7,10,12H,8-9,11,20H2,1-3H3,(H,22,23);2*1H
• InChIKey: XXTBTDWPRSYVMG-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.85
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?

The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119608769) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride.

What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?

The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride is CC(C)C(C)(CN)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1.Cl.Cl.

What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?

The InChIKey is XXTBTDWPRSYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S.2ClH/c1-12(2)18(3,11-20)22-16(23)8-14-10-25-17(21-14)9-24-15-6-4-13(19)5-7-15;;/h4-7,10,12H,8-9,11,20H2,1-3H3,(H,22,23);2*1H.

What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride?

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 454.85 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119608769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).