[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride

C18H25Cl3N4O2S — CID 120641408

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120641408) has the molecular formula C18H25Cl3N4O2S and a molecular weight of 467.85 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

• Compound Name: [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
• PubChem CID: 120641408
• Molecular Formula: C18H25Cl3N4O2S
• Molecular Weight: 467.85 g/mol
• Exact Mass: 466.08
• IUPAC Name: [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
• SMILES: COc1ccc(Cl)cc1CN1CCN(C(=O)c2csc(CCN)n2)CC1.Cl.Cl
• InChI: InChI=1S/C18H23ClN4O2S.2ClH/c1-25-16-3-2-14(19)10-13(16)11-22-6-8-23(9-7-22)18(24)15-12-26-17(21-15)4-5-20;;/h2-3,10,12H,4-9,11,20H2,1H3;2*1H
• InChIKey: VSAUUCAZKKSLMM-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 71.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.85
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?

The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride (CID 120641408) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride.

What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?

The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride is COc1ccc(Cl)cc1CN1CCN(C(=O)c2csc(CCN)n2)CC1.Cl.Cl.

What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?

The InChIKey is VSAUUCAZKKSLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2S.2ClH/c1-25-16-3-2-14(19)10-13(16)11-22-6-8-23(9-7-22)18(24)15-12-26-17(21-15)4-5-20;;/h2-3,10,12H,4-9,11,20H2,1H3;2*1H.

What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride?

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 467.85 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120641408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).