ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate

C24H23Cl2FN2O2S — CID 90689395

IUPACethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2F)S1
InChIInChI=1S/C24H23Cl2FN2O2S/c1-5-31-22(30)20-19(13(2)3)29-21(17-11-10-16(26)12-18(17)27)24(4,28-23(29)32-20)14-6-8-15(25)9-7-14/h6-13,21H,5H2,1-4H3/t21-,24+/m1/s1
InChIKeyACMQYZRFGUYKPH-QPPBQGQZSA-N
MW493.43 g/mol
LogP6.94
Rot. Bonds5

About ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 90689395) has the molecular formula C24H23Cl2FN2O2S and a molecular weight of 493.43 g/mol. Its IUPAC name is ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID90689395
Molecular FormulaC24H23Cl2FN2O2S
Molecular Weight493.43 g/mol
Exact Mass492.08
IUPAC Nameethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2F)S1
InChIInChI=1S/C24H23Cl2FN2O2S/c1-5-31-22(30)20-19(13(2)3)29-21(17-11-10-16(26)12-18(17)27)24(4,28-23(29)32-20)14-6-8-15(25)9-7-14/h6-13,21H,5H2,1-4H3/t21-,24+/m1/s1
InChIKeyACMQYZRFGUYKPH-QPPBQGQZSA-N
XLogP6.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.43
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate with MolForge

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Related Compounds

ethyl (5R,6S)-5-(4-chloro-2-methylphenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 87252809
ethyl 6-(4-amino-2-fluorophenyl)-5-(4-chloro-3-fluorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 70234331
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
ethyl (5R,6S)-5-(4-chloro-3-methoxyphenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 87252716
(5R,6S)-N-(azetidin-3-yl)-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006775
1-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]cyclopropane-1-carboxylic acid
CID 67058309
methyl (5R,6S)-6-[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 58007365
[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58007116
(5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-6-methyl-N-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 68804600
(5R,6S)-N-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006856
(3S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]pyrrolidine-1-carboxylic acid
CID 68807243
(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 143692071

Frequently Asked Questions

What is the IUPAC name of ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 90689395) is ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2F)S1.
What is the InChIKey of ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is ACMQYZRFGUYKPH-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H23Cl2FN2O2S/c1-5-31-22(30)20-19(13(2)3)29-21(17-11-10-16(26)12-18(17)27)24(4,28-23(29)32-20)14-6-8-15(25)9-7-14/h6-13,21H,5H2,1-4H3/t21-,24+/m1/s1.
What are the key properties of ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 493.43 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R,6S)-5-(4-chloro-2-fluorophenyl)-6-(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 90689395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).