5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one

C28H27Cl2N5O3S — CID 58006994

About 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one

5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 58006994) has the molecular formula C28H27Cl2N5O3S and a molecular weight of 584.53 g/mol. Its IUPAC name is 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

• Compound Name: 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one
• PubChem CID: 58006994
• Molecular Formula: C28H27Cl2N5O3S
• Molecular Weight: 584.53 g/mol
• Exact Mass: 583.12
• IUPAC Name: 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one
• SMILES: CC(C)C1=C(C(=O)N2CCC[C@H]2c2n[nH]c(=O)o2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C28H27Cl2N5O3S/c1-15(2)21-22(25(36)34-14-4-5-20(34)24-32-33-27(37)38-24)39-26-31-28(3,17-8-12-19(30)13-9-17)23(35(21)26)16-6-10-18(29)11-7-16/h6-13,15,20,23H,4-5,14H2,1-3H3,(H,33,37)/t20-,23+,28-/m0/s1
• InChIKey: FUXZGPMMXCMUMP-PYHHMDQSSA-N
• XLogP: 6.28
• TPSA: 94.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.53
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one?

The IUPAC name of 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one (CID 58006994) is 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one.

What is the SMILES notation for 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one?

The canonical SMILES for 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one is CC(C)C1=C(C(=O)N2CCC[C@H]2c2n[nH]c(=O)o2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one?

The InChIKey is FUXZGPMMXCMUMP-PYHHMDQSSA-N. The full InChI is InChI=1S/C28H27Cl2N5O3S/c1-15(2)21-22(25(36)34-14-4-5-20(34)24-32-33-27(37)38-24)39-26-31-28(3,17-8-12-19(30)13-9-17)23(35(21)26)16-6-10-18(29)11-7-16/h6-13,15,20,23H,4-5,14H2,1-3H3,(H,33,37)/t20-,23+,28-/m0/s1.

What are the key properties of 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one?

5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 584.53 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 58006994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).