N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide

C23H19F2N3OS — CID 4120636

IUPACN-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
SMILESO=C(c1ccccc1F)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)C1CC1
InChIInChI=1S/C23H19F2N3OS/c24-16-7-5-15(6-8-16)21-13-28-18(14-30-23(28)26-21)11-12-27(17-9-10-17)22(29)19-3-1-2-4-20(19)25/h1-8,13-14,17H,9-12H2
InChIKeyRDTJYESWFHJRFT-UHFFFAOYSA-N
MW423.49 g/mol
LogP5.19
Rot. Bonds6

About N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide

N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide (PubChem CID 4120636) has the molecular formula C23H19F2N3OS and a molecular weight of 423.49 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
PubChem CID4120636
Molecular FormulaC23H19F2N3OS
Molecular Weight423.49 g/mol
Exact Mass423.12
IUPAC NameN-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
SMILESO=C(c1ccccc1F)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)C1CC1
InChIInChI=1S/C23H19F2N3OS/c24-16-7-5-15(6-8-16)21-13-28-18(14-30-23(28)26-21)11-12-27(17-9-10-17)22(29)19-3-1-2-4-20(19)25/h1-8,13-14,17H,9-12H2
InChIKeyRDTJYESWFHJRFT-UHFFFAOYSA-N
XLogP5.19
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5065946
N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
CID 3586558
ethyl 4-[cyclopropyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42788752
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]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42793111
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-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-(2-methoxyethyl)adamantane-1-carboxamide
CID 3556870
N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27377015
2-[[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]-N-propylbenzamide
CID 24555467
N-(2-aminoethyl)-N-cyclopropyl-2-(4-fluorophenyl)benzamide
CID 68726599
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide (CID 4120636) is N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide is O=C(c1ccccc1F)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)C1CC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide?
The InChIKey is RDTJYESWFHJRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3OS/c24-16-7-5-15(6-8-16)21-13-28-18(14-30-23(28)26-21)11-12-27(17-9-10-17)22(29)19-3-1-2-4-20(19)25/h1-8,13-14,17H,9-12H2.
What are the key properties of N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide?
N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 4120636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).