N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide

C30H26F3N3O2S — CID 4588461

IUPACN-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)CC1CCCO1
InChIInChI=1S/C30H26F3N3O2S/c31-30(32,33)24-11-9-21(10-12-24)28(37)35(17-26-6-3-15-38-26)14-13-25-19-39-29-34-27(18-36(25)29)23-8-7-20-4-1-2-5-22(20)16-23/h1-2,4-5,7-12,16,18-19,26H,3,6,13-15,17H2
InChIKeyCEKSFEZIGOGDJM-UHFFFAOYSA-N
MW549.62 g/mol
LogP7.10
Rot. Bonds7

About N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide

N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 4588461) has the molecular formula C30H26F3N3O2S and a molecular weight of 549.62 g/mol. Its IUPAC name is N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID4588461
Molecular FormulaC30H26F3N3O2S
Molecular Weight549.62 g/mol
Exact Mass549.17
IUPAC NameN-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)CC1CCCO1
InChIInChI=1S/C30H26F3N3O2S/c31-30(32,33)24-11-9-21(10-12-24)28(37)35(17-26-6-3-15-38-26)14-13-25-19-39-29-34-27(18-36(25)29)23-8-7-20-4-1-2-5-22(20)16-23/h1-2,4-5,7-12,16,18-19,26H,3,6,13-15,17H2
InChIKeyCEKSFEZIGOGDJM-UHFFFAOYSA-N
XLogP7.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.62
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42788811
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 42793191
2,4-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3996689
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42793173
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 42793196
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 4124075
N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide
CID 42788825
N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
CID 3508560
3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 5240199
3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea
CID 4227965
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4645323
N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide
CID 4138753

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide (CID 4588461) is N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide is O=C(c1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)CC1CCCO1.
What is the InChIKey of N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is CEKSFEZIGOGDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N3O2S/c31-30(32,33)24-11-9-21(10-12-24)28(37)35(17-26-6-3-15-38-26)14-13-25-19-39-29-34-27(18-36(25)29)23-8-7-20-4-1-2-5-22(20)16-23/h1-2,4-5,7-12,16,18-19,26H,3,6,13-15,17H2.
What are the key properties of N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide?
N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 549.62 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4588461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).