(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

C44H43Cl4N7O3S2 — CID 160955270

About (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 160955270) has the molecular formula C44H43Cl4N7O3S2 and a molecular weight of 923.82 g/mol. Its IUPAC name is (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

• Compound Name: (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• PubChem CID: 160955270
• Molecular Formula: C44H43Cl4N7O3S2
• Molecular Weight: 923.82 g/mol
• Exact Mass: 921.16
• IUPAC Name: (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• SMILES: CC(C)C1=C(C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C23H24Cl2N4OS.C21H19Cl2N3O2S/c1-13(2)18-19(21(30)28(4)5)31-22-27-23(3,15-8-11-17(25)26-12-15)20(29(18)22)14-6-9-16(24)10-7-14;1-11(2)16-17(19(27)28)29-20-25-21(3,13-6-9-15(23)24-10-13)18(26(16)20)12-4-7-14(22)8-5-12/h6-13,20H,1-5H3;4-11,18H,1-3H3,(H,27,28)/t20-,23+;18-,21+/m11/s1
• InChIKey: SWHMMMPGVUEHQS-LUGSRMEOSA-N
• XLogP: 11.43
• TPSA: 114.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.82
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The IUPAC name of (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 160955270) is (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

What is the SMILES notation for (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The canonical SMILES for (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(C)C1=C(C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)cc3)N21.CC(C)C1=C(C(=O)O)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The InChIKey is SWHMMMPGVUEHQS-LUGSRMEOSA-N. The full InChI is InChI=1S/C23H24Cl2N4OS.C21H19Cl2N3O2S/c1-13(2)18-19(21(30)28(4)5)31-22-27-23(3,15-8-11-17(25)26-12-15)20(29(18)22)14-6-9-16(24)10-7-14;1-11(2)16-17(19(27)28)29-20-25-21(3,13-6-9-15(23)24-10-13)18(26(16)20)12-4-7-14(22)8-5-12/h6-13,20H,1-5H3;4-11,18H,1-3H3,(H,27,28)/t20-,23+;18-,21+/m11/s1.

What are the key properties of (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 923.82 g/mol, XLogP of 11.43, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 160955270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).