6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C22H20FN3O2S — CID 42595571

IUPAC6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc([C@H](C)N(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)cc1
InChIInChI=1S/C22H20FN3O2S/c1-14(15-7-9-18(28-3)10-8-15)25(2)21(27)20-13-29-22-24-19(12-26(20)22)16-5-4-6-17(23)11-16/h4-14H,1-3H3/t14-/m0/s1
InChIKeyOHZDUUUAQHHCLN-AWEZNQCLSA-N
MW409.49 g/mol
LogP5.04
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42595571) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42595571
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc([C@H](C)N(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)cc1
InChIInChI=1S/C22H20FN3O2S/c1-14(15-7-9-18(28-3)10-8-15)25(2)21(27)20-13-29-22-24-19(12-26(20)22)16-5-4-6-17(23)11-16/h4-14H,1-3H3/t14-/m0/s1
InChIKeyOHZDUUUAQHHCLN-AWEZNQCLSA-N
XLogP5.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270856
6-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42596781
N-[(2S)-1-(dimethylamino)butan-2-yl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95230924
N-butyl-6-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270495
6-(3-methoxyphenyl)-N-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270822
ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757014
N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56704737
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270073
[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42512545
N-ethyl-6-(4-methoxyphenyl)-N-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270700
6-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270765
6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 46396472

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42595571) is 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is COc1ccc([C@H](C)N(C)C(=O)c2csc3nc(-c4cccc(F)c4)cn23)cc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is OHZDUUUAQHHCLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-14(15-7-9-18(28-3)10-8-15)25(2)21(27)20-13-29-22-24-19(12-26(20)22)16-5-4-6-17(23)11-16/h4-14H,1-3H3/t14-/m0/s1.
What are the key properties of 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42595571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).