4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one

C26H28Cl2N4OS — CID 143692244

About 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one

4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one (PubChem CID 143692244) has the molecular formula C26H28Cl2N4OS and a molecular weight of 515.51 g/mol. Its IUPAC name is 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one
• PubChem CID: 143692244
• Molecular Formula: C26H28Cl2N4OS
• Molecular Weight: 515.51 g/mol
• Exact Mass: 514.14
• IUPAC Name: 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one
• SMILES: CC(C)C1=C(C(C)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C26H28Cl2N4OS/c1-15(2)23-25(16(3)31-13-12-29-21(33)14-31)34-26-30-22(17-4-8-19(27)9-5-17)24(32(23)26)18-6-10-20(28)11-7-18/h4-11,15-16,22,24H,12-14H2,1-3H3,(H,29,33)/t16?,22-,24+/m0/s1
• InChIKey: DMYGRWAZFZZPQR-XWOBEDNTSA-N
• XLogP: 5.88
• TPSA: 47.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.51
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one?

The IUPAC name of 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one (CID 143692244) is 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one.

What is the SMILES notation for 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one?

The canonical SMILES for 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one is CC(C)C1=C(C(C)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one?

The InChIKey is DMYGRWAZFZZPQR-XWOBEDNTSA-N. The full InChI is InChI=1S/C26H28Cl2N4OS/c1-15(2)23-25(16(3)31-13-12-29-21(33)14-31)34-26-30-22(17-4-8-19(27)9-5-17)24(32(23)26)18-6-10-20(28)11-7-18/h4-11,15-16,22,24H,12-14H2,1-3H3,(H,29,33)/t16?,22-,24+/m0/s1.

What are the key properties of 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one?

4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one has a molecular weight of 515.51 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethyl]piperazin-2-one is sourced from PubChem (CID 143692244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).