[(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone

C34H38Cl2FN5O2S — CID 58542459

IUPAC[(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
SMILESCC(C)C1=C(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CC3(CC3)NC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C34H38Cl2FN5O2S/c1-19(2)27-28(31(44)40-17-25(37)15-26(40)30(43)41-18-34(13-14-34)38-16-20(41)3)45-32-39-33(4,22-7-11-24(36)12-8-22)29(42(27)32)21-5-9-23(35)10-6-21/h5-12,19-20,25-26,29,38H,13-18H2,1-4H3/t20-,25-,26+,29-,33+/m1/s1
InChIKeyRSNFVUQQQIIYOW-MLKOYZIFSA-N
MW670.68 g/mol
LogP6.53
Rot. Bonds5

About [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone

[(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone (PubChem CID 58542459) has the molecular formula C34H38Cl2FN5O2S and a molecular weight of 670.68 g/mol. Its IUPAC name is [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone.

Molecular Properties

Compound Name[(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
PubChem CID58542459
Molecular FormulaC34H38Cl2FN5O2S
Molecular Weight670.68 g/mol
Exact Mass669.21
IUPAC Name[(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
SMILESCC(C)C1=C(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CC3(CC3)NC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C34H38Cl2FN5O2S/c1-19(2)27-28(31(44)40-17-25(37)15-26(40)30(43)41-18-34(13-14-34)38-16-20(41)3)45-32-39-33(4,22-7-11-24(36)12-8-22)29(42(27)32)21-5-9-23(35)10-6-21/h5-12,19-20,25-26,29,38H,13-18H2,1-4H3/t20-,25-,26+,29-,33+/m1/s1
InChIKeyRSNFVUQQQIIYOW-MLKOYZIFSA-N
XLogP6.53
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.68
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,4R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
CID 87395648
[(2R,4R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
CID 89451765
(6S)-7-[(2S,4R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidine-2-carbonyl]-4,7-diazaspiro[2.5]octane-6-carboxylic acid;methane
CID 160549838
[(2S,4R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6S)-6-ethyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
CID 46840821
[(2S,4R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-(2-methylpropyl)-4,7-diazaspiro[2.5]octan-7-yl]methanone;(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 158814386
[(2R,5R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-ethylpyrrolidin-2-yl]-[(6S)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone
CID 87252857
[(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
[(2R,5R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(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 67058383
1-[(6S)-7-[(2S,4R)-1-[(5R,6S)-5-(4-chloro-3-fluorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidine-2-carbonyl]-6-ethyl-4,7-diazaspiro[2.5]octan-4-yl]-2,2,2-trifluoroethanone
CID 58542456
[(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)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,5-dimethylpiperazin-1-yl]methanone;[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S,5S)-2,4,5-trimethylpiperazin-1-yl]methanone;(2S,5S)-2,5-dimethylpiperazine
CID 158894724
1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 68806087

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone?
The IUPAC name of [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone (CID 58542459) is [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone.
What is the SMILES notation for [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone?
The canonical SMILES for [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone is CC(C)C1=C(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CC3(CC3)NC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.
What is the InChIKey of [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone?
The InChIKey is RSNFVUQQQIIYOW-MLKOYZIFSA-N. The full InChI is InChI=1S/C34H38Cl2FN5O2S/c1-19(2)27-28(31(44)40-17-25(37)15-26(40)30(43)41-18-34(13-14-34)38-16-20(41)3)45-32-39-33(4,22-7-11-24(36)12-8-22)29(42(27)32)21-5-9-23(35)10-6-21/h5-12,19-20,25-26,29,38H,13-18H2,1-4H3/t20-,25-,26+,29-,33+/m1/s1.
What are the key properties of [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone?
[(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone has a molecular weight of 670.68 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-4-fluoropyrrolidin-2-yl]-[(6R)-6-methyl-4,7-diazaspiro[2.5]octan-7-yl]methanone is sourced from PubChem (CID 58542459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).