(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide

C27H28Cl2N4O2S — CID 143692049

About (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide

(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide (PubChem CID 143692049) has the molecular formula C27H28Cl2N4O2S and a molecular weight of 543.52 g/mol. Its IUPAC name is (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide
• PubChem CID: 143692049
• Molecular Formula: C27H28Cl2N4O2S
• Molecular Weight: 543.52 g/mol
• Exact Mass: 542.13
• IUPAC Name: (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide
• SMILES: CC(C)C1=C(C(=O)N2CC[C@H]2C(=O)N(C)C)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C27H28Cl2N4O2S/c1-15(2)22-24(26(35)32-14-13-20(32)25(34)31(3)4)36-27-30-21(16-5-9-18(28)10-6-16)23(33(22)27)17-7-11-19(29)12-8-17/h5-12,15,20-21,23H,13-14H2,1-4H3/t20-,21-,23+/m0/s1
• InChIKey: NLMYQSIHADPBDU-QNWVGRARSA-N
• XLogP: 5.75
• TPSA: 56.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.52
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide?

The IUPAC name of (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide (CID 143692049) is (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide?

The canonical SMILES for (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide is CC(C)C1=C(C(=O)N2CC[C@H]2C(=O)N(C)C)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide?

The InChIKey is NLMYQSIHADPBDU-QNWVGRARSA-N. The full InChI is InChI=1S/C27H28Cl2N4O2S/c1-15(2)22-24(26(35)32-14-13-20(32)25(34)31(3)4)36-27-30-21(16-5-9-18(28)10-6-16)23(33(22)27)17-7-11-19(29)12-8-17/h5-12,15,20-21,23H,13-14H2,1-4H3/t20-,21-,23+/m0/s1.

What are the key properties of (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide?

(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide has a molecular weight of 543.52 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylazetidine-2-carboxamide is sourced from PubChem (CID 143692049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).