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

C32H40Cl2N4O2S — CID 58006804

IUPAC(5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(=O)N(CC2(CN(C)C)COC2)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C32H40Cl2N4O2S/c1-20(2)26-27(29(39)37(21(3)4)17-32(16-36(6)7)18-40-19-32)41-30-35-31(5,23-10-14-25(34)15-11-23)28(38(26)30)22-8-12-24(33)13-9-22/h8-15,20-21,28H,16-19H2,1-7H3/t28-,31+/m1/s1
InChIKeyNAOWQDBNPSTBGC-MVSFAKPFSA-N
MW615.67 g/mol
LogP7.05
Rot. Bonds9

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

(5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 58006804) has the molecular formula C32H40Cl2N4O2S and a molecular weight of 615.67 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name(5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID58006804
Molecular FormulaC32H40Cl2N4O2S
Molecular Weight615.67 g/mol
Exact Mass614.22
IUPAC Name(5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(=O)N(CC2(CN(C)C)COC2)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C32H40Cl2N4O2S/c1-20(2)26-27(29(39)37(21(3)4)17-32(16-36(6)7)18-40-19-32)41-30-35-31(5,23-10-14-25(34)15-11-23)28(38(26)30)22-8-12-24(33)13-9-22/h8-15,20-21,28H,16-19H2,1-7H3/t28-,31+/m1/s1
InChIKeyNAOWQDBNPSTBGC-MVSFAKPFSA-N
XLogP7.05
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.67
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 58006804) is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(C)C1=C(C(=O)N(CC2(CN(C)C)COC2)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.
What is the InChIKey of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is NAOWQDBNPSTBGC-MVSFAKPFSA-N. The full InChI is InChI=1S/C32H40Cl2N4O2S/c1-20(2)26-27(29(39)37(21(3)4)17-32(16-36(6)7)18-40-19-32)41-30-35-31(5,23-10-14-25(34)15-11-23)28(38(26)30)22-8-12-24(33)13-9-22/h8-15,20-21,28H,16-19H2,1-7H3/t28-,31+/m1/s1.
What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
(5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 615.67 g/mol, XLogP of 7.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 58006804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).