2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C19H22ClN3O3S — CID 120638256

About 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120638256) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride
• PubChem CID: 120638256
• Molecular Formula: C19H22ClN3O3S
• Molecular Weight: 407.92 g/mol
• Exact Mass: 407.11
• IUPAC Name: 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride
• SMILES: Cl.NCCc1nc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)cs1
• InChI: InChI=1S/C19H21N3O3S.ClH/c20-9-8-18-21-15(13-26-18)19(24)22(11-14-5-2-1-3-6-14)12-16(23)17-7-4-10-25-17;/h1-7,10,13,16,23H,8-9,11-12,20H2;1H
• InChIKey: DOTRTRWGJCZVLW-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 92.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.92
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride?

The IUPAC name of 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120638256) is 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

What is the SMILES notation for 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride?

The canonical SMILES for 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)cs1.

What is the InChIKey of 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride?

The InChIKey is DOTRTRWGJCZVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S.ClH/c20-9-8-18-21-15(13-26-18)19(24)22(11-14-5-2-1-3-6-14)12-16(23)17-7-4-10-25-17;/h1-7,10,13,16,23H,8-9,11-12,20H2;1H.

What are the key properties of 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride?

2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 407.92 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).