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

C27H30Cl2N4O2S — CID 68806753

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

(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 68806753) has the molecular formula C27H30Cl2N4O2S and a molecular weight of 545.54 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

• Compound Name: (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• PubChem CID: 68806753
• Molecular Formula: C27H30Cl2N4O2S
• Molecular Weight: 545.54 g/mol
• Exact Mass: 544.15
• IUPAC Name: (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• SMILES: CC(C)C1=C(C(=O)N(C)CC(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C27H30Cl2N4O2S/c1-16(2)22-23(25(35)32(6)15-21(34)31(4)5)36-26-30-27(3,18-9-13-20(29)14-10-18)24(33(22)26)17-7-11-19(28)12-8-17/h7-14,16,24H,15H2,1-6H3/t24-,27+/m1/s1
• InChIKey: XFSLNIAORAOVBF-SQHAQQRYSA-N
• XLogP: 5.78
• TPSA: 56.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.54
LogP ≤ 5	5.78
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)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 68806753) is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-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)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(C)C1=C(C(=O)N(C)CC(=O)N(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)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The InChIKey is XFSLNIAORAOVBF-SQHAQQRYSA-N. The full InChI is InChI=1S/C27H30Cl2N4O2S/c1-16(2)22-23(25(35)32(6)15-21(34)31(4)5)36-26-30-27(3,18-9-13-20(29)14-10-18)24(33(22)26)17-7-11-19(28)12-8-17/h7-14,16,24H,15H2,1-6H3/t24-,27+/m1/s1.

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

(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 545.54 g/mol, XLogP of 5.78, 6 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)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 68806753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).