6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C23H19FN4O2S — CID 118264355

IUPAC6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCc1nc2sc(C)cn2c1C(=O)NCc1ccc2nc(-c3ccc(F)cc3)oc2c1
InChIInChI=1S/C23H19FN4O2S/c1-3-17-20(28-12-13(2)31-23(28)27-17)21(29)25-11-14-4-9-18-19(10-14)30-22(26-18)15-5-7-16(24)8-6-15/h4-10,12H,3,11H2,1-2H3,(H,25,29)
InChIKeyLCQOAWTZXMEJAG-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.14
Rot. Bonds5

About 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118264355) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118264355
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC Name6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCc1nc2sc(C)cn2c1C(=O)NCc1ccc2nc(-c3ccc(F)cc3)oc2c1
InChIInChI=1S/C23H19FN4O2S/c1-3-17-20(28-12-13(2)31-23(28)27-17)21(29)25-11-14-4-9-18-19(10-14)30-22(26-18)15-5-7-16(24)8-6-15/h4-10,12H,3,11H2,1-2H3,(H,25,29)
InChIKeyLCQOAWTZXMEJAG-UHFFFAOYSA-N
XLogP5.14
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264341
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264342
N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264350
2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118267882
2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126710479
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 17163439
2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264369
1-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-methylbutan-2-one
CID 58778344
6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 166306612
N-[(2-phenyl-1,3-benzoxazol-6-yl)methyl]ethanamine
CID 82357516
N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 166376841
5-(4-chlorophenyl)-N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 17078844

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118264355) is 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is CCc1nc2sc(C)cn2c1C(=O)NCc1ccc2nc(-c3ccc(F)cc3)oc2c1.
What is the InChIKey of 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is LCQOAWTZXMEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-3-17-20(28-12-13(2)31-23(28)27-17)21(29)25-11-14-4-9-18-19(10-14)30-22(26-18)15-5-7-16(24)8-6-15/h4-10,12H,3,11H2,1-2H3,(H,25,29).
What are the key properties of 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118264355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).