[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone

C20H16FN3O2S — CID 22523743

IUPAC[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12)N1CCOCC1
InChIInChI=1S/C20H16FN3O2S/c21-15-4-1-13(2-5-15)16-12-24-17-6-3-14(11-18(17)27-20(24)22-16)19(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2
InChIKeyXWVCUDKRHYMFBX-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.83
Rot. Bonds2

About [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone

[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 22523743) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
PubChem CID22523743
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12)N1CCOCC1
InChIInChI=1S/C20H16FN3O2S/c21-15-4-1-13(2-5-15)16-12-24-17-6-3-14(11-18(17)27-20(24)22-16)19(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2
InChIKeyXWVCUDKRHYMFBX-UHFFFAOYSA-N
XLogP3.83
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone (CID 22523743) is [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12)N1CCOCC1.
What is the InChIKey of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is XWVCUDKRHYMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c21-15-4-1-13(2-5-15)16-12-24-17-6-3-14(11-18(17)27-20(24)22-16)19(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2.
What are the key properties of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone?
[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 381.43 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22523743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).