2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide

C16H19Cl2N5O2S — CID 42813480

About 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide

2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide (PubChem CID 42813480) has the molecular formula C16H19Cl2N5O2S and a molecular weight of 416.33 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 42813480
• Molecular Formula: C16H19Cl2N5O2S
• Molecular Weight: 416.33 g/mol
• Exact Mass: 415.06
• IUPAC Name: 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
• SMILES: CN(C)CCNC(=O)CNC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1
• InChI: InChI=1S/C16H19Cl2N5O2S/c1-23(2)6-5-19-14(24)8-20-15(25)13-9-26-16(22-13)21-10-3-4-11(17)12(18)7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
• InChIKey: XRTIMQMMKPGQJW-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 86.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.33
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide (CID 42813480) is 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide is CN(C)CCNC(=O)CNC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1.

What is the InChIKey of 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?

The InChIKey is XRTIMQMMKPGQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O2S/c1-23(2)6-5-19-14(24)8-20-15(25)13-9-26-16(22-13)21-10-3-4-11(17)12(18)7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,24)(H,20,25)(H,21,22).

What are the key properties of 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?

2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 416.33 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).