N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C18H15Cl2N3O2S2 — CID 42885056

About N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 42885056) has the molecular formula C18H15Cl2N3O2S2 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 42885056
• Molecular Formula: C18H15Cl2N3O2S2
• Molecular Weight: 440.38 g/mol
• Exact Mass: 439.00
• IUPAC Name: N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: CC(NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C18H15Cl2N3O2S2/c1-10(13-5-4-11(19)7-14(13)20)21-16(24)8-12-9-27-18(22-12)23-17(25)15-3-2-6-26-15/h2-7,9-10H,8H2,1H3,(H,21,24)(H,22,23,25)
• InChIKey: GMOPPPRAZWYHGL-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.38
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 42885056) is N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is CC(NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc(Cl)cc1Cl.

What is the InChIKey of N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is GMOPPPRAZWYHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S2/c1-10(13-5-4-11(19)7-14(13)20)21-16(24)8-12-9-27-18(22-12)23-17(25)15-3-2-6-26-15/h2-7,9-10H,8H2,1H3,(H,21,24)(H,22,23,25).

What are the key properties of N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 440.38 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42885056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).