2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C18H23ClN4O4S — CID 120621658

About 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120621658) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
• PubChem CID: 120621658
• Molecular Formula: C18H23ClN4O4S
• Molecular Weight: 426.93 g/mol
• Exact Mass: 426.11
• IUPAC Name: 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
• SMILES: COc1ccc(NC(=O)c2csc(CCN)n2)cc1OCC(=O)NC1CC1.Cl
• InChI: InChI=1S/C18H22N4O4S.ClH/c1-25-14-5-4-12(8-15(14)26-9-16(23)20-11-2-3-11)21-18(24)13-10-27-17(22-13)6-7-19;/h4-5,8,10-11H,2-3,6-7,9,19H2,1H3,(H,20,23)(H,21,24);1H
• InChIKey: DKIHNCRTVKVAJF-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 115.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.93
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?

The IUPAC name of 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120621658) is 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

What is the SMILES notation for 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?

The canonical SMILES for 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride is COc1ccc(NC(=O)c2csc(CCN)n2)cc1OCC(=O)NC1CC1.Cl.

What is the InChIKey of 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?

The InChIKey is DKIHNCRTVKVAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S.ClH/c1-25-14-5-4-12(8-15(14)26-9-16(23)20-11-2-3-11)21-18(24)13-10-27-17(22-13)6-7-19;/h4-5,8,10-11H,2-3,6-7,9,19H2,1H3,(H,20,23)(H,21,24);1H.

What are the key properties of 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?

2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 426.93 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).