6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H23FN4O2S — CID 56718509

IUPAC6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)(CN1CCOCC1)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H23FN4O2S/c1-20(2,13-24-7-9-27-10-8-24)23-18(26)17-12-28-19-22-16(11-25(17)19)14-3-5-15(21)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyIKSBAJXWGUEVRQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.04
Rot. Bonds5

About 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56718509) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56718509
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)(CN1CCOCC1)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H23FN4O2S/c1-20(2,13-24-7-9-27-10-8-24)23-18(26)17-12-28-19-22-16(11-25(17)19)14-3-5-15(21)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyIKSBAJXWGUEVRQ-UHFFFAOYSA-N
XLogP3.04
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56718509) is 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CC(C)(CN1CCOCC1)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is IKSBAJXWGUEVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-20(2,13-24-7-9-27-10-8-24)23-18(26)17-12-28-19-22-16(11-25(17)19)14-3-5-15(21)6-4-14/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26).
What are the key properties of 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56718509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).