N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

C18H23Cl2N3O3S — CID 119567957

About N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119567957) has the molecular formula C18H23Cl2N3O3S and a molecular weight of 432.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
• PubChem CID: 119567957
• Molecular Formula: C18H23Cl2N3O3S
• Molecular Weight: 432.37 g/mol
• Exact Mass: 431.08
• IUPAC Name: N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
• SMILES: Cl.Cl.NCC1(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CCCC1
• InChI: InChI=1S/C18H21N3O3S.2ClH/c19-10-18(5-1-2-6-18)21-16(22)8-13-9-25-17(20-13)12-3-4-14-15(7-12)24-11-23-14;;/h3-4,7,9H,1-2,5-6,8,10-11,19H2,(H,21,22);2*1H
• InChIKey: XKPDFFXQRUQRDT-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 86.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.37
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?

The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119567957) is N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?

The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is Cl.Cl.NCC1(NC(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)CCCC1.

What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?

The InChIKey is XKPDFFXQRUQRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S.2ClH/c19-10-18(5-1-2-6-18)21-16(22)8-13-9-25-17(20-13)12-3-4-14-15(7-12)24-11-23-14;;/h3-4,7,9H,1-2,5-6,8,10-11,19H2,(H,21,22);2*1H.

What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?

N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 432.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(aminomethyl)cyclopentyl]-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119567957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).