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

C30H33Cl2F3N4O2S — CID 58006778

IUPAC(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(=O)N(CCN(C)C(=O)C(F)(F)F)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C30H33Cl2F3N4O2S/c1-17(2)23-24(26(40)38(18(3)4)16-15-37(6)27(41)30(33,34)35)42-28-36-29(5,20-9-13-22(32)14-10-20)25(39(23)28)19-7-11-21(31)12-8-19/h7-14,17-18,25H,15-16H2,1-6H3/t25-,29+/m1/s1
InChIKeyOJFOFTULPYOYML-IRPSRAIASA-N
MW641.59 g/mol
LogP7.49
Rot. Bonds8

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

(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 58006778) has the molecular formula C30H33Cl2F3N4O2S and a molecular weight of 641.59 g/mol. Its IUPAC name is (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-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)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID58006778
Molecular FormulaC30H33Cl2F3N4O2S
Molecular Weight641.59 g/mol
Exact Mass640.17
IUPAC Name(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(C)C1=C(C(=O)N(CCN(C)C(=O)C(F)(F)F)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C30H33Cl2F3N4O2S/c1-17(2)23-24(26(40)38(18(3)4)16-15-37(6)27(41)30(33,34)35)42-28-36-29(5,20-9-13-22(32)14-10-20)25(39(23)28)19-7-11-21(31)12-8-19/h7-14,17-18,25H,15-16H2,1-6H3/t25-,29+/m1/s1
InChIKeyOJFOFTULPYOYML-IRPSRAIASA-N
XLogP7.49
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.59
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-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)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-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)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 58006778) is (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-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)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-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)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(C)C1=C(C(=O)N(CCN(C)C(=O)C(F)(F)F)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)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is OJFOFTULPYOYML-IRPSRAIASA-N. The full InChI is InChI=1S/C30H33Cl2F3N4O2S/c1-17(2)23-24(26(40)38(18(3)4)16-15-37(6)27(41)30(33,34)35)42-28-36-29(5,20-9-13-22(32)14-10-20)25(39(23)28)19-7-11-21(31)12-8-19/h7-14,17-18,25H,15-16H2,1-6H3/t25-,29+/m1/s1.
What are the key properties of (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 641.59 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 58006778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).