2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride

C17H22Cl2N4O3S — CID 120637933

About 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120637933) has the molecular formula C17H22Cl2N4O3S and a molecular weight of 433.36 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride
• PubChem CID: 120637933
• Molecular Formula: C17H22Cl2N4O3S
• Molecular Weight: 433.36 g/mol
• Exact Mass: 432.08
• IUPAC Name: 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride
• SMILES: COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1csc(CCN)n1.Cl
• InChI: InChI=1S/C17H21ClN4O3S.ClH/c1-10-7-12(14(25-2)8-11(10)18)21-15(23)4-6-20-17(24)13-9-26-16(22-13)3-5-19;/h7-9H,3-6,19H2,1-2H3,(H,20,24)(H,21,23);1H
• InChIKey: LUQOZAWXGXKTIE-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 106.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.36
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride?

The IUPAC name of 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120637933) is 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride.

What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride?

The canonical SMILES for 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride is COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1csc(CCN)n1.Cl.

What is the InChIKey of 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride?

The InChIKey is LUQOZAWXGXKTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S.ClH/c1-10-7-12(14(25-2)8-11(10)18)21-15(23)4-6-20-17(24)13-9-26-16(22-13)3-5-19;/h7-9H,3-6,19H2,1-2H3,(H,20,24)(H,21,23);1H.

What are the key properties of 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride?

2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 433.36 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).