(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

C30H36Cl2N4OS — CID 143692071

About (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 143692071) has the molecular formula C30H36Cl2N4OS and a molecular weight of 571.62 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

• Compound Name: (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• PubChem CID: 143692071
• Molecular Formula: C30H36Cl2N4OS
• Molecular Weight: 571.62 g/mol
• Exact Mass: 570.20
• IUPAC Name: (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• SMILES: CC(C)C1=C(C(=O)N(CC2CCN2C)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C30H36Cl2N4OS/c1-18(2)25-26(28(37)35(19(3)4)17-24-15-16-34(24)6)38-29-33-30(5,21-9-13-23(32)14-10-21)27(36(25)29)20-7-11-22(31)12-8-20/h7-14,18-19,24,27H,15-17H2,1-6H3/t24?,27-,30+/m1/s1
• InChIKey: YWWUFQBOMINCQJ-PTVMHFHWSA-N
• XLogP: 7.18
• TPSA: 39.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.62
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 143692071) is (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

What is the SMILES notation for (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(C)C1=C(C(=O)N(CC2CCN2C)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The InChIKey is YWWUFQBOMINCQJ-PTVMHFHWSA-N. The full InChI is InChI=1S/C30H36Cl2N4OS/c1-18(2)25-26(28(37)35(19(3)4)17-24-15-16-34(24)6)38-29-33-30(5,21-9-13-23(32)14-10-21)27(36(25)29)20-7-11-22(31)12-8-20/h7-14,18-19,24,27H,15-17H2,1-6H3/t24?,27-,30+/m1/s1.

What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 571.62 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 143692071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).