5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine

C54H62Cl4N8O3S2 — CID 157103690

About 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine

5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine (PubChem CID 157103690) has the molecular formula C54H62Cl4N8O3S2 and a molecular weight of 1077.09 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine.

Molecular Properties

• Compound Name: 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine
• PubChem CID: 157103690
• Molecular Formula: C54H62Cl4N8O3S2
• Molecular Weight: 1077.09 g/mol
• Exact Mass: 1074.31
• IUPAC Name: 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine
• SMILES: CC(C)C1=C(C(=O)N2CC(N(C)C)C2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.CN(C)C1CNC1
• InChI: InChI=1S/C27H30Cl2N4OS.C22H20Cl2N2O2S.C5H12N2/c1-16(2)22-23(25(34)32-14-21(15-32)31(4)5)35-26-30-27(3,18-8-12-20(29)13-9-18)24(33(22)26)17-6-10-19(28)11-7-17;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-7(2)5-3-6-4-5/h6-13,16,21,24H,14-15H2,1-5H3;4-12,19H,1-3H3,(H,27,28);5-6H,3-4H2,1-2H3
• InChIKey: AGBDCNPLIRRNTC-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 107.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.09
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine?

The IUPAC name of 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine (CID 157103690) is 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine.

What is the SMILES notation for 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine?

The canonical SMILES for 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine is CC(C)C1=C(C(=O)N2CC(N(C)C)C2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.CN(C)C1CNC1.

What is the InChIKey of 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine?

The InChIKey is AGBDCNPLIRRNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2N4OS.C22H20Cl2N2O2S.C5H12N2/c1-16(2)22-23(25(34)32-14-21(15-32)31(4)5)35-26-30-27(3,18-8-12-20(29)13-9-18)24(33(22)26)17-6-10-19(28)11-7-17;1-12(2)17-18(20(27)28)29-21-25-22(3,14-6-10-16(24)11-7-14)19(26(17)21)13-4-8-15(23)9-5-13;1-7(2)5-3-6-4-5/h6-13,16,21,24H,14-15H2,1-5H3;4-12,19H,1-3H3,(H,27,28);5-6H,3-4H2,1-2H3.

What are the key properties of 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine?

5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine has a molecular weight of 1077.09 g/mol, XLogP of 11.85, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[3-(dimethylamino)azetidin-1-yl]methanone;N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 157103690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).