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

C32H40Cl2N4O2S — CID 58006859

IUPAC(5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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(C(C)C)C2CC(N(C)CCO)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C32H40Cl2N4O2S/c1-19(2)27-28(30(40)37(20(3)4)26-17-25(18-26)36(6)15-16-39)41-31-35-32(5,22-9-13-24(34)14-10-22)29(38(27)31)21-7-11-23(33)12-8-21/h7-14,19-20,25-26,29,39H,15-18H2,1-6H3/t25?,26?,29-,32+/m1/s1
InChIKeyMOIPNAXKFTVPFS-ZOPNEJPCSA-N
MW615.67 g/mol
LogP6.93
Rot. Bonds9

About (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 58006859) 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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID58006859
Molecular FormulaC32H40Cl2N4O2S
Molecular Weight615.67 g/mol
Exact Mass614.22
IUPAC Name(5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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(C(C)C)C2CC(N(C)CCO)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C32H40Cl2N4O2S/c1-19(2)27-28(30(40)37(20(3)4)26-17-25(18-26)36(6)15-16-39)41-31-35-32(5,22-9-13-24(34)14-10-22)29(38(27)31)21-7-11-23(33)12-8-21/h7-14,19-20,25-26,29,39H,15-18H2,1-6H3/t25?,26?,29-,32+/m1/s1
InChIKeyMOIPNAXKFTVPFS-ZOPNEJPCSA-N
XLogP6.93
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.67
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 58006859) is (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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(C(C)C)C2CC(N(C)CCO)C2)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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is MOIPNAXKFTVPFS-ZOPNEJPCSA-N. The full InChI is InChI=1S/C32H40Cl2N4O2S/c1-19(2)27-28(30(40)37(20(3)4)26-17-25(18-26)36(6)15-16-39)41-31-35-32(5,22-9-13-24(34)14-10-22)29(38(27)31)21-7-11-23(33)12-8-21/h7-14,19-20,25-26,29,39H,15-18H2,1-6H3/t25?,26?,29-,32+/m1/s1.
What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-N-[3-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-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 6.93, 9 rotatable bonds, 1 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-[2-hydroxyethyl(methyl)amino]cyclobutyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 58006859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).