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

C22H21Cl2N3OS — CID 71716153

IUPAC5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(N)=O)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C22H21Cl2N3OS/c1-12(2)17-18(20(25)28)29-21-26-22(3,14-6-10-16(24)11-7-14)19(27(17)21)13-4-8-15(23)9-5-13/h4-12,19H,1-3H3,(H2,25,28)
InChIKeyGEYJYBGVKMFBLD-UHFFFAOYSA-N
MW446.40 g/mol
LogP5.72
Rot. Bonds4

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

5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 71716153) has the molecular formula C22H21Cl2N3OS and a molecular weight of 446.40 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-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID71716153
Molecular FormulaC22H21Cl2N3OS
Molecular Weight446.40 g/mol
Exact Mass445.08
IUPAC Name5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(N)=O)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C22H21Cl2N3OS/c1-12(2)17-18(20(25)28)29-21-26-22(3,14-6-10-16(24)11-7-14)19(27(17)21)13-4-8-15(23)9-5-13/h4-12,19H,1-3H3,(H2,25,28)
InChIKeyGEYJYBGVKMFBLD-UHFFFAOYSA-N
XLogP5.72
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.40
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]thiazole-2-carboxamide?
The IUPAC name of 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 71716153) is 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.
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-carboxamide?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(C)C1=C(C(N)=O)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]thiazole-2-carboxamide?
The InChIKey is GEYJYBGVKMFBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3OS/c1-12(2)17-18(20(25)28)29-21-26-22(3,14-6-10-16(24)11-7-14)19(27(17)21)13-4-8-15(23)9-5-13/h4-12,19H,1-3H3,(H2,25,28).
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-carboxamide?
5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 446.40 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 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]thiazole-2-carboxamide is sourced from PubChem (CID 71716153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).