(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]-N,N-dimethylazetidine-2-carboxamide

C28H30Cl2N4O2S — CID 58006900

IUPAC(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]-N,N-dimethylazetidine-2-carboxamide
SMILESCC(C)C1=C(C(=O)N2CC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C28H30Cl2N4O2S/c1-16(2)22-23(26(36)33-15-14-21(33)25(35)32(4)5)37-27-31-28(3,18-8-12-20(30)13-9-18)24(34(22)27)17-6-10-19(29)11-7-17/h6-13,16,21,24H,14-15H2,1-5H3/t21-,24+,28-/m0/s1
InChIKeySJOTXTWUPGBVMJ-YBZFOXLFSA-N
MW557.55 g/mol
LogP5.93
Rot. Bonds5

About (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]-N,N-dimethylazetidine-2-carboxamide

(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]-N,N-dimethylazetidine-2-carboxamide (PubChem CID 58006900) has the molecular formula C28H30Cl2N4O2S and a molecular weight of 557.55 g/mol. Its IUPAC name is (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]-N,N-dimethylazetidine-2-carboxamide.

Molecular Properties

Compound Name(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]-N,N-dimethylazetidine-2-carboxamide
PubChem CID58006900
Molecular FormulaC28H30Cl2N4O2S
Molecular Weight557.55 g/mol
Exact Mass556.15
IUPAC Name(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]-N,N-dimethylazetidine-2-carboxamide
SMILESCC(C)C1=C(C(=O)N2CC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C28H30Cl2N4O2S/c1-16(2)22-23(26(36)33-15-14-21(33)25(35)32(4)5)37-27-31-28(3,18-8-12-20(30)13-9-18)24(34(22)27)17-6-10-19(29)11-7-17/h6-13,16,21,24H,14-15H2,1-5H3/t21-,24+,28-/m0/s1
InChIKeySJOTXTWUPGBVMJ-YBZFOXLFSA-N
XLogP5.93
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.55
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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]-N,N-dimethylazetidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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]-N,N-dimethylazetidine-2-carboxamide?
The IUPAC name of (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]-N,N-dimethylazetidine-2-carboxamide (CID 58006900) is (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]-N,N-dimethylazetidine-2-carboxamide.
What is the SMILES notation for (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]-N,N-dimethylazetidine-2-carboxamide?
The canonical SMILES for (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]-N,N-dimethylazetidine-2-carboxamide is CC(C)C1=C(C(=O)N2CC[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-[(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-dimethylazetidine-2-carboxamide?
The InChIKey is SJOTXTWUPGBVMJ-YBZFOXLFSA-N. The full InChI is InChI=1S/C28H30Cl2N4O2S/c1-16(2)22-23(26(36)33-15-14-21(33)25(35)32(4)5)37-27-31-28(3,18-8-12-20(30)13-9-18)24(34(22)27)17-6-10-19(29)11-7-17/h6-13,16,21,24H,14-15H2,1-5H3/t21-,24+,28-/m0/s1.
What are the key properties of (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]-N,N-dimethylazetidine-2-carboxamide?
(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]-N,N-dimethylazetidine-2-carboxamide has a molecular weight of 557.55 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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]-N,N-dimethylazetidine-2-carboxamide is sourced from PubChem (CID 58006900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).