N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide

C29H20ClF6N3OS — CID 4645323

IUPACN-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccccc1
InChIInChI=1S/C29H20ClF6N3OS/c30-23-8-6-19(7-9-23)25-16-39-24(17-41-27(39)37-25)10-11-38(15-18-4-2-1-3-5-18)26(40)20-12-21(28(31,32)33)14-22(13-20)29(34,35)36/h1-9,12-14,16-17H,10-11,15H2
InChIKeyHRCXJNZDFQXUKM-UHFFFAOYSA-N
MW608.01 g/mol
LogP8.64
Rot. Bonds7

About N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide

N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 4645323) has the molecular formula C29H20ClF6N3OS and a molecular weight of 608.01 g/mol. Its IUPAC name is N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID4645323
Molecular FormulaC29H20ClF6N3OS
Molecular Weight608.01 g/mol
Exact Mass607.09
IUPAC NameN-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccccc1
InChIInChI=1S/C29H20ClF6N3OS/c30-23-8-6-19(7-9-23)25-16-39-24(17-41-27(39)37-25)10-11-38(15-18-4-2-1-3-5-18)26(40)20-12-21(28(31,32)33)14-22(13-20)29(34,35)36/h1-9,12-14,16-17H,10-11,15H2
InChIKeyHRCXJNZDFQXUKM-UHFFFAOYSA-N
XLogP8.64
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.01
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
CID 3586558
N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5065946
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide
CID 42793104
N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 42788719
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42793111
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 42793057
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 5057421
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 42793074
N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide
CID 42788730
N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide
CID 4138753
N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 4588461

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide (CID 4645323) is N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is HRCXJNZDFQXUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClF6N3OS/c30-23-8-6-19(7-9-23)25-16-39-24(17-41-27(39)37-25)10-11-38(15-18-4-2-1-3-5-18)26(40)20-12-21(28(31,32)33)14-22(13-20)29(34,35)36/h1-9,12-14,16-17H,10-11,15H2.
What are the key properties of N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 608.01 g/mol, XLogP of 8.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 4645323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).