(2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

C29H34Cl2N4O2S — CID 78225573

IUPAC(2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(C)[C@H]1[C@H](C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C29H34Cl2N4O2S/c1-17(2)23-24(27(37)34-16-6-7-22(34)26(36)33(4)5)38-28-32-29(3,19-10-14-21(31)15-11-19)25(35(23)28)18-8-12-20(30)13-9-18/h8-15,17,22-25H,6-7,16H2,1-5H3/t22-,23-,24+,25+,29-/m0/s1
InChIKeyLLEJOQXSESTVSU-SNRQIKIQSA-N
MW573.59 g/mol
LogP5.84
Rot. Bonds5

About (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 78225573) has the molecular formula C29H34Cl2N4O2S and a molecular weight of 573.59 g/mol. Its IUPAC name is (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID78225573
Molecular FormulaC29H34Cl2N4O2S
Molecular Weight573.59 g/mol
Exact Mass572.18
IUPAC Name(2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC(C)[C@H]1[C@H](C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C29H34Cl2N4O2S/c1-17(2)23-24(27(37)34-16-6-7-22(34)26(36)33(4)5)38-28-32-29(3,19-10-14-21(31)15-11-19)25(35(23)28)18-8-12-20(30)13-9-18/h8-15,17,22-25H,6-7,16H2,1-5H3/t22-,23-,24+,25+,29-/m0/s1
InChIKeyLLEJOQXSESTVSU-SNRQIKIQSA-N
XLogP5.84
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.59
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-[acetyl(methyl)amino]ethyl]-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-methylpyrrolidine-2-carboxamide
CID 58007213
[(2R)-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]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68804768
(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]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 58006862
2-[(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]acetamide
CID 58007117
[(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-methyl-4,7-diazaspiro[2.5]octan-7-yl)methanone
CID 67058433
4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 58007132
[(2S)-1-[6-(4-chlorophenyl)-6-methyl-5-phenyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 58006768
[(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]-5-methylpyrrolidin-2-yl]-[(3R)-3,4-dimethylpiperazin-1-yl]methanone
CID 72734404
(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 143691995
(5R,6S)-3-(1-bromoethyl)-5,6-bis(4-chlorophenyl)-6-methyl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 68805391
(6S)-5,6-bis(4-chlorophenyl)-3,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 58006957
(5R,6S)-5-(4-chlorophenyl)-6-(3,4-difluorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 68804579

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 78225573) is (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is CC(C)[C@H]1[C@H](C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.
What is the InChIKey of (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is LLEJOQXSESTVSU-SNRQIKIQSA-N. The full InChI is InChI=1S/C29H34Cl2N4O2S/c1-17(2)23-24(27(37)34-16-6-7-22(34)26(36)33(4)5)38-28-32-29(3,19-10-14-21(31)15-11-19)25(35(23)28)18-8-12-20(30)13-9-18/h8-15,17,22-25H,6-7,16H2,1-5H3/t22-,23-,24+,25+,29-/m0/s1.
What are the key properties of (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 573.59 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,3S,5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 78225573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).