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

C24H25Cl2N3OS — CID 71716776

IUPAC5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(=O)N(C)C)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C24H25Cl2N3OS/c1-14(2)19-20(22(30)28(4)5)31-23-27-24(3,16-8-12-18(26)13-9-16)21(29(19)23)15-6-10-17(25)11-7-15/h6-14,21H,1-5H3
InChIKeyYZPXSKUFVXNWTI-UHFFFAOYSA-N
MW474.46 g/mol
LogP6.32
Rot. Bonds4

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

5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 71716776) has the molecular formula C24H25Cl2N3OS and a molecular weight of 474.46 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID71716776
Molecular FormulaC24H25Cl2N3OS
Molecular Weight474.46 g/mol
Exact Mass473.11
IUPAC Name5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(=O)N(C)C)SC2=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21
InChIInChI=1S/C24H25Cl2N3OS/c1-14(2)19-20(22(30)28(4)5)31-23-27-24(3,16-8-12-18(26)13-9-16)21(29(19)23)15-6-10-17(25)11-7-15/h6-14,21H,1-5H3
InChIKeyYZPXSKUFVXNWTI-UHFFFAOYSA-N
XLogP6.32
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.46
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[(5r,6s)-5,6-Bis(4-Chlorophenyl)-6-Methyl-3-(Propan-2-Yl)-5,6-Dihydroimidazo[2,1-B][1,3]thiazol-2-Yl]carbonyl}-N,N-Dimethyl-L-Prolinamide
CID 44608665
(5r,6s)-2-[((2s,5r)-2-{[(3r)-4-Acetyl-3-Methylpiperazin-1-Yl]carbonyl}-5-Ethylpyrrolidin-1-Yl)carbonyl]-5,6-Bis(4-Chlorophenyl)-3-Isopropyl-6-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]thiazole
CID 58007243
(2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N,5-trimethylpyrrolidine-2-carboxamide
CID 24822178
4-(1-{[(5R,6S)-5,6-Bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-L-prolyl)piperazin-2-one
CID 24968161
[(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 24968162
(5R*,6S*)-5,6-Bis(4-chlorophenyl)-3-isopropyl-2-(morpholin-4-ylcarbonyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 24968163
4-{[(5R,6S)-5,6-Bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}piperazin-2-one
CID 24968164
(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide
CID 44608667
(5R,6S)-2-({(2S)-2-[(4-Acetylpiperazine-1-yl)carbonyl]pyrrolidin-1-yl}carbonyl)-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 44608832
(5R,6S)-5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006829
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
(2S)-1-{[(5R,6S)-5,6-Bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethylazetidine-2-carboxamide
CID 58006900

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 71716776) is 5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-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)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-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=NC(C)(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N21.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is YZPXSKUFVXNWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3OS/c1-14(2)19-20(22(30)28(4)5)31-23-27-24(3,16-8-12-18(26)13-9-16)21(29(19)23)15-6-10-17(25)11-7-15/h6-14,21H,1-5H3.
What are the key properties of 5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
5,6-bis(4-chlorophenyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 6.32, 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)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 71716776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).