[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone

C26H27Cl2N3OS — CID 58006930

IUPAC[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)C1=C(C(=O)N2CCCC2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C26H27Cl2N3OS/c1-16(2)21-22(24(32)30-14-4-5-15-30)33-25-29-26(3,18-8-12-20(28)13-9-18)23(31(21)25)17-6-10-19(27)11-7-17/h6-13,16,23H,4-5,14-15H2,1-3H3
InChIKeyCMPWFBMBPZHKTG-UHFFFAOYSA-N
MW500.50 g/mol
LogP6.86
Rot. Bonds4

About [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone

[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 58006930) has the molecular formula C26H27Cl2N3OS and a molecular weight of 500.50 g/mol. Its IUPAC name is [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID58006930
Molecular FormulaC26H27Cl2N3OS
Molecular Weight500.50 g/mol
Exact Mass499.13
IUPAC Name[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)C1=C(C(=O)N2CCCC2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C26H27Cl2N3OS/c1-16(2)21-22(24(32)30-14-4-5-15-30)33-25-29-26(3,18-8-12-20(28)13-9-18)23(31(21)25)17-6-10-19(27)11-7-17/h6-13,16,23H,4-5,14-15H2,1-3H3
InChIKeyCMPWFBMBPZHKTG-UHFFFAOYSA-N
XLogP6.86
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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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]thiazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone (CID 58006930) is [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone is CC(C)C1=C(C(=O)N2CCCC2)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.
What is the InChIKey of [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CMPWFBMBPZHKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N3OS/c1-16(2)21-22(24(32)30-14-4-5-15-30)33-25-29-26(3,18-8-12-20(28)13-9-18)23(31(21)25)17-6-10-19(27)11-7-17/h6-13,16,23H,4-5,14-15H2,1-3H3.
What are the key properties of [5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone?
[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 500.50 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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]thiazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58006930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).