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

C33H41Cl2N5O2S — CID 58006827

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

(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 58006827) has the molecular formula C33H41Cl2N5O2S and a molecular weight of 642.70 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-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)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• PubChem CID: 58006827
• Molecular Formula: C33H41Cl2N5O2S
• Molecular Weight: 642.70 g/mol
• Exact Mass: 641.24
• IUPAC Name: (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-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(CC(=O)N2CCN(C)[C@H](C)C2)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C33H41Cl2N5O2S/c1-20(2)28-29(31(42)39(21(3)4)19-27(41)38-17-16-37(7)22(5)18-38)43-32-36-33(6,24-10-14-26(35)15-11-24)30(40(28)32)23-8-12-25(34)13-9-23/h8-15,20-22,30H,16-19H2,1-7H3/t22-,30-,33+/m1/s1
• InChIKey: QGMJXPIRLNEVCK-WKGIXAQJSA-N
• XLogP: 6.64
• TPSA: 59.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.70
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-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)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 58006827) is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-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)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-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)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-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(CC(=O)N2CCN(C)[C@H](C)C2)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)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The InChIKey is QGMJXPIRLNEVCK-WKGIXAQJSA-N. The full InChI is InChI=1S/C33H41Cl2N5O2S/c1-20(2)28-29(31(42)39(21(3)4)19-27(41)38-17-16-37(7)22(5)18-38)43-32-36-33(6,24-10-14-26(35)15-11-24)30(40(28)32)23-8-12-25(34)13-9-23/h8-15,20-22,30H,16-19H2,1-7H3/t22-,30-,33+/m1/s1.

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

(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 642.70 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-2-oxoethyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 58006827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).