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

C23H23Cl2N3OS — CID 71719198

IUPAC5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCNC(=O)C1=C(C(C)C)N2C(=NC(C)(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)S1
InChIInChI=1S/C23H23Cl2N3OS/c1-13(2)18-19(21(29)26-4)30-22-27-23(3,15-7-11-17(25)12-8-15)20(28(18)22)14-5-9-16(24)10-6-14/h5-13,20H,1-4H3,(H,26,29)
InChIKeyIIAAFLLMADGKQA-UHFFFAOYSA-N
MW460.43 g/mol
LogP5.98
Rot. Bonds4

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

5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 71719198) has the molecular formula C23H23Cl2N3OS and a molecular weight of 460.43 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID71719198
Molecular FormulaC23H23Cl2N3OS
Molecular Weight460.43 g/mol
Exact Mass459.09
IUPAC Name5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCNC(=O)C1=C(C(C)C)N2C(=NC(C)(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)S1
InChIInChI=1S/C23H23Cl2N3OS/c1-13(2)18-19(21(29)26-4)30-22-27-23(3,15-7-11-17(25)12-8-15)20(28(18)22)14-5-9-16(24)10-6-14/h5-13,20H,1-4H3,(H,26,29)
InChIKeyIIAAFLLMADGKQA-UHFFFAOYSA-N
XLogP5.98
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.43
LogP ≤ 55.98
H-Bond Donors ≤ 51
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
(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,5R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidin-2-yl]-(4,7-diazaspiro[2.5]octan-7-yl)methanone
CID 44596000
(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
[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

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 71719198) is 5,6-bis(4-chlorophenyl)-N,6-dimethyl-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,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CNC(=O)C1=C(C(C)C)N2C(=NC(C)(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)S1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is IIAAFLLMADGKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3OS/c1-13(2)18-19(21(29)26-4)30-22-27-23(3,15-7-11-17(25)12-8-15)20(28(18)22)14-5-9-16(24)10-6-14/h5-13,20H,1-4H3,(H,26,29).
What are the key properties of 5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 460.43 g/mol, XLogP of 5.98, 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)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 71719198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).