(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

C30H34Cl2N4O2S — CID 24822178

IUPAC(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
SMILESCC(C)C1=C(C(=O)N2[C@@H](C)CC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C30H34Cl2N4O2S/c1-17(2)24-25(28(38)35-18(3)7-16-23(35)27(37)34(5)6)39-29-33-30(4,20-10-14-22(32)15-11-20)26(36(24)29)19-8-12-21(31)13-9-19/h8-15,17-18,23,26H,7,16H2,1-6H3/t18-,23-,26+,30-/m0/s1
InChIKeyUNTCOZBAKHHRQE-LAYJHPSDSA-N
MW585.60 g/mol
LogP6.70
Rot. Bonds5

About (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

(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 (PubChem CID 24822178) has the molecular formula C30H34Cl2N4O2S and a molecular weight of 585.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID24822178
Molecular FormulaC30H34Cl2N4O2S
Molecular Weight585.60 g/mol
Exact Mass584.18
IUPAC Name(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
SMILESCC(C)C1=C(C(=O)N2[C@@H](C)CC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C30H34Cl2N4O2S/c1-17(2)24-25(28(38)35-18(3)7-16-23(35)27(37)34(5)6)39-29-33-30(4,20-10-14-22(32)15-11-20)26(36(24)29)19-8-12-21(31)13-9-19/h8-15,17-18,23,26H,7,16H2,1-6H3/t18-,23-,26+,30-/m0/s1
InChIKeyUNTCOZBAKHHRQE-LAYJHPSDSA-N
XLogP6.70
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.60
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C1=C(C(=O)N2[C@@H](C)CC[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,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?
The InChIKey is UNTCOZBAKHHRQE-LAYJHPSDSA-N. The full InChI is InChI=1S/C30H34Cl2N4O2S/c1-17(2)24-25(28(38)35-18(3)7-16-23(35)27(37)34(5)6)39-29-33-30(4,20-10-14-22(32)15-11-20)26(36(24)29)19-8-12-21(31)13-9-19/h8-15,17-18,23,26H,7,16H2,1-6H3/t18-,23-,26+,30-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 585.60 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 24822178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).