2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C25H25FN4O3S — CID 170717399

IUPAC2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc2c(c1)sc1nc(-c3ccc(C4COCCN4)cc3F)cn12
InChIInChI=1S/C25H25FN4O3S/c26-19-11-15(21-14-33-10-7-27-21)1-3-18(19)20-13-30-22-4-2-16(12-23(22)34-25(30)29-20)24(31)28-17-5-8-32-9-6-17/h1-4,11-13,17,21,27H,5-10,14H2,(H,28,31)
InChIKeyCAUFIBLTCFGVGP-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.92
Rot. Bonds4

About 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 170717399) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID170717399
Molecular FormulaC25H25FN4O3S
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC Name2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc2c(c1)sc1nc(-c3ccc(C4COCCN4)cc3F)cn12
InChIInChI=1S/C25H25FN4O3S/c26-19-11-15(21-14-33-10-7-27-21)1-3-18(19)20-13-30-22-4-2-16(12-23(22)34-25(30)29-20)24(31)28-17-5-8-32-9-6-17/h1-4,11-13,17,21,27H,5-10,14H2,(H,28,31)
InChIKeyCAUFIBLTCFGVGP-UHFFFAOYSA-N
XLogP3.92
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 170717399) is 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is O=C(NC1CCOCC1)c1ccc2c(c1)sc1nc(-c3ccc(C4COCCN4)cc3F)cn12.
What is the InChIKey of 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is CAUFIBLTCFGVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c26-19-11-15(21-14-33-10-7-27-21)1-3-18(19)20-13-30-22-4-2-16(12-23(22)34-25(30)29-20)24(31)28-17-5-8-32-9-6-17/h1-4,11-13,17,21,27H,5-10,14H2,(H,28,31).
What are the key properties of 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-morpholin-3-ylphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 170717399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).