(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide

C15H19ClN4O2S — CID 39947749

About (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 39947749) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide
• PubChem CID: 39947749
• Molecular Formula: C15H19ClN4O2S
• Molecular Weight: 354.86 g/mol
• Exact Mass: 354.09
• IUPAC Name: (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide
• SMILES: CCN(CC)C(=O)CN(C)C(=O)/C=C/c1c(Cl)nc2sccn12
• InChI: InChI=1S/C15H19ClN4O2S/c1-4-19(5-2)13(22)10-18(3)12(21)7-6-11-14(16)17-15-20(11)8-9-23-15/h6-9H,4-5,10H2,1-3H3/b7-6+
• InChIKey: MFRNSQHYCSUHQC-VOTSOKGWSA-N
• XLogP: 2.39
• TPSA: 57.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.86
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide?

The IUPAC name of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide (CID 39947749) is (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide.

What is the SMILES notation for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide?

The canonical SMILES for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide is CCN(CC)C(=O)CN(C)C(=O)/C=C/c1c(Cl)nc2sccn12.

What is the InChIKey of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide?

The InChIKey is MFRNSQHYCSUHQC-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c1-4-19(5-2)13(22)10-18(3)12(21)7-6-11-14(16)17-15-20(11)8-9-23-15/h6-9H,4-5,10H2,1-3H3/b7-6+.

What are the key properties of (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide?

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 354.86 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 39947749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).