(6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol

C47H54N8O2S4 — CID 159351486

About (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol

(6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol (PubChem CID 159351486) has the molecular formula C47H54N8O2S4 and a molecular weight of 891.27 g/mol. Its IUPAC name is (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol.

Molecular Properties

• Compound Name: (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol
• PubChem CID: 159351486
• Molecular Formula: C47H54N8O2S4
• Molecular Weight: 891.27 g/mol
• Exact Mass: 890.33
• IUPAC Name: (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol
• SMILES: COc1ccc([C@H]2CN3CCSC3=N2)cc1.Cc1ccc(C2CN3CCSC3=N2)cc1.Cc1ccc([C@H]2CN3CCSC3=N2)cc1.Oc1ccc([C@H]2CN3CCSC3=N2)cc1
• InChI: InChI=1S/C12H14N2OS.2C12H14N2S.C11H12N2OS/c1-15-10-4-2-9(3-5-10)11-8-14-6-7-16-12(14)13-11;2*1-9-2-4-10(5-3-9)11-8-14-6-7-15-12(14)13-11;14-9-3-1-8(2-4-9)10-7-13-5-6-15-11(13)12-10/h2-5,11H,6-8H2,1H3;2*2-5,11H,6-8H2,1H3;1-4,10,14H,5-7H2/t2*11-;;10-/m11.1/s1
• InChIKey: LHJPPEFDPBSPQW-BROQPBFCSA-N
• XLogP: 8.92
• TPSA: 91.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	891.27
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol?

The IUPAC name of (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol (CID 159351486) is (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol.

What is the SMILES notation for (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol?

The canonical SMILES for (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol is COc1ccc([C@H]2CN3CCSC3=N2)cc1.Cc1ccc(C2CN3CCSC3=N2)cc1.Cc1ccc([C@H]2CN3CCSC3=N2)cc1.Oc1ccc([C@H]2CN3CCSC3=N2)cc1.

What is the InChIKey of (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol?

The InChIKey is LHJPPEFDPBSPQW-BROQPBFCSA-N. The full InChI is InChI=1S/C12H14N2OS.2C12H14N2S.C11H12N2OS/c1-15-10-4-2-9(3-5-10)11-8-14-6-7-16-12(14)13-11;2*1-9-2-4-10(5-3-9)11-8-14-6-7-15-12(14)13-11;14-9-3-1-8(2-4-9)10-7-13-5-6-15-11(13)12-10/h2-5,11H,6-8H2,1H3;2*2-5,11H,6-8H2,1H3;1-4,10,14H,5-7H2/t2*11-;;10-/m11.1/s1.

What are the key properties of (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol?

(6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol has a molecular weight of 891.27 g/mol, XLogP of 8.92, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;(6S)-6-(4-methylphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;4-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenol is sourced from PubChem (CID 159351486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).