4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one

C26H26Cl2N4O2S — CID 58006857

IUPAC4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
SMILESCC(C)C1=C(C(=O)N2CCNC(=O)C2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C26H26Cl2N4O2S/c1-15(2)21-22(24(34)31-13-12-29-20(33)14-31)35-25-30-26(3,17-6-10-19(28)11-7-17)23(32(21)25)16-4-8-18(27)9-5-16/h4-11,15,23H,12-14H2,1-3H3,(H,29,33)
InChIKeyLRLCSDTXRWLHPZ-UHFFFAOYSA-N
MW529.49 g/mol
LogP5.19
Rot. Bonds4

About 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one

4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one (PubChem CID 58006857) has the molecular formula C26H26Cl2N4O2S and a molecular weight of 529.49 g/mol. Its IUPAC name is 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
PubChem CID58006857
Molecular FormulaC26H26Cl2N4O2S
Molecular Weight529.49 g/mol
Exact Mass528.12
IUPAC Name4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
SMILESCC(C)C1=C(C(=O)N2CCNC(=O)C2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C26H26Cl2N4O2S/c1-15(2)21-22(24(34)31-13-12-29-20(33)14-31)35-25-30-26(3,17-6-10-19(28)11-7-17)23(32(21)25)16-4-8-18(27)9-5-16/h4-11,15,23H,12-14H2,1-3H3,(H,29,33)
InChIKeyLRLCSDTXRWLHPZ-UHFFFAOYSA-N
XLogP5.19
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one (CID 58006857) is 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one is CC(C)C1=C(C(=O)N2CCNC(=O)C2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.
What is the InChIKey of 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
The InChIKey is LRLCSDTXRWLHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O2S/c1-15(2)21-22(24(34)31-13-12-29-20(33)14-31)35-25-30-26(3,17-6-10-19(28)11-7-17)23(32(21)25)16-4-8-18(27)9-5-16/h4-11,15,23H,12-14H2,1-3H3,(H,29,33).
What are the key properties of 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one?
4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one has a molecular weight of 529.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 58006857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).