N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide

C25H30FN3O2S — CID 4124075

IUPACN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CC1CCCO1
InChIInChI=1S/C25H30FN3O2S/c26-20-10-8-18(9-11-20)23-16-29-21(17-32-25(29)27-23)12-13-28(15-22-7-4-14-31-22)24(30)19-5-2-1-3-6-19/h8-11,16-17,19,22H,1-7,12-15H2
InChIKeyZAWYCJQSPWWZTG-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.33
Rot. Bonds7

About N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide

N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 4124075) has the molecular formula C25H30FN3O2S and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
PubChem CID4124075
Molecular FormulaC25H30FN3O2S
Molecular Weight455.60 g/mol
Exact Mass455.20
IUPAC NameN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CC1CCCO1
InChIInChI=1S/C25H30FN3O2S/c26-20-10-8-18(9-11-20)23-16-29-21(17-32-25(29)27-23)12-13-28(15-22-7-4-14-31-22)24(30)19-5-2-1-3-6-19/h8-11,16-17,19,22H,1-7,12-15H2
InChIKeyZAWYCJQSPWWZTG-UHFFFAOYSA-N
XLogP5.33
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42788811
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-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide
CID 42788825
N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 4588461
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 42793191
3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4129559
(E)-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-(4-nitrophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 6173269
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 42793078
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 7301539

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide (CID 4124075) is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CC1CCCO1.
What is the InChIKey of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is ZAWYCJQSPWWZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2S/c26-20-10-8-18(9-11-20)23-16-29-21(17-32-25(29)27-23)12-13-28(15-22-7-4-14-31-22)24(30)19-5-2-1-3-6-19/h8-11,16-17,19,22H,1-7,12-15H2.
What are the key properties of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 455.60 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 4124075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).