N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C25H26N4O3S2 — CID 59369918

About N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 59369918) has the molecular formula C25H26N4O3S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• PubChem CID: 59369918
• Molecular Formula: C25H26N4O3S2
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.14
• IUPAC Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• SMILES: C=C(C)Oc1c(/C=C/c2nc3sccn3c2C(=O)Nc2nc(C(C)(C)C)cs2)cccc1OC
• InChI: InChI=1S/C25H26N4O3S2/c1-15(2)32-21-16(8-7-9-18(21)31-6)10-11-17-20(29-12-13-33-24(29)26-17)22(30)28-23-27-19(14-34-23)25(3,4)5/h7-14H,1H2,2-6H3,(H,27,28,30)/b11-10+
• InChIKey: LEFOCLXXJIPHPI-ZHACJKMWSA-N
• XLogP: 6.49
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 59369918) is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is C=C(C)Oc1c(/C=C/c2nc3sccn3c2C(=O)Nc2nc(C(C)(C)C)cs2)cccc1OC.

What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

The InChIKey is LEFOCLXXJIPHPI-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H26N4O3S2/c1-15(2)32-21-16(8-7-9-18(21)31-6)10-11-17-20(29-12-13-33-24(29)26-17)22(30)28-23-27-19(14-34-23)25(3,4)5/h7-14H,1H2,2-6H3,(H,27,28,30)/b11-10+.

What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?

N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 59369918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).