N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C23H22N4O2S — CID 25285955

IUPACN-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(c1csc2nc(-c3ccccc3)cn12)N(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C23H22N4O2S/c28-22(26(14-19-7-4-12-29-19)13-17-8-10-24-11-9-17)21-16-30-23-25-20(15-27(21)23)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,19H,4,7,12-14H2/t19-/m1/s1
InChIKeyHDTDJAVEBMQRAV-LJQANCHMSA-N
MW418.52 g/mol
LogP4.28
Rot. Bonds6

About N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 25285955) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID25285955
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(c1csc2nc(-c3ccccc3)cn12)N(Cc1ccncc1)C[C@H]1CCCO1
InChIInChI=1S/C23H22N4O2S/c28-22(26(14-19-7-4-12-29-19)13-17-8-10-24-11-9-17)21-16-30-23-25-20(15-27(21)23)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,19H,4,7,12-14H2/t19-/m1/s1
InChIKeyHDTDJAVEBMQRAV-LJQANCHMSA-N
XLogP4.28
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)carbamoyl]pyrrole-2-carboxylic acid
CID 166275346
N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42788811
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270462
N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)-2-phenylmethoxyacetamide
CID 42788825
N-cyclopropyl-6-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56704737
N-benzyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271548
N-[[(2R)-oxolan-2-yl]methyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27376986
3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 99954668
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-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 99941251

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 25285955) is N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(c1csc2nc(-c3ccccc3)cn12)N(Cc1ccncc1)C[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is HDTDJAVEBMQRAV-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-22(26(14-19-7-4-12-29-19)13-17-8-10-24-11-9-17)21-16-30-23-25-20(15-27(21)23)18-5-2-1-3-6-18/h1-3,5-6,8-11,15-16,19H,4,7,12-14H2/t19-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 25285955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).