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

C22H17FN4O2S — CID 118264356

IUPACN-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc4nc(-c5ccc(F)cc5)oc4c3)c(C)nc2s1
InChIInChI=1S/C22H17FN4O2S/c1-12-11-27-19(13(2)25-22(27)30-12)20(28)24-10-14-3-8-17-18(9-14)29-21(26-17)15-4-6-16(23)7-5-15/h3-9,11H,10H2,1-2H3,(H,24,28)
InChIKeyFPWVOMYKNKTURH-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.89
Rot. Bonds4

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

N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118264356) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118264356
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc4nc(-c5ccc(F)cc5)oc4c3)c(C)nc2s1
InChIInChI=1S/C22H17FN4O2S/c1-12-11-27-19(13(2)25-22(27)30-12)20(28)24-10-14-3-8-17-18(9-14)29-21(26-17)15-4-6-16(23)7-5-15/h3-9,11H,10H2,1-2H3,(H,24,28)
InChIKeyFPWVOMYKNKTURH-UHFFFAOYSA-N
XLogP4.89
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118264356) is N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cn2c(C(=O)NCc3ccc4nc(-c5ccc(F)cc5)oc4c3)c(C)nc2s1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is FPWVOMYKNKTURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-12-11-27-19(13(2)25-22(27)30-12)20(28)24-10-14-3-8-17-18(9-14)29-21(26-17)15-4-6-16(23)7-5-15/h3-9,11H,10H2,1-2H3,(H,24,28).
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118264356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).