[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

C17H16FN3OS — CID 134796220

IUPAC[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc2sccn2c1-c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C17H16FN3OS/c18-13-6-4-12(5-7-13)15-14(19-17-21(15)10-11-23-17)16(22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2
InChIKeyBUULWWWDSGCQJW-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.83
Rot. Bonds2

About [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (PubChem CID 134796220) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
PubChem CID134796220
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESO=C(c1nc2sccn2c1-c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C17H16FN3OS/c18-13-6-4-12(5-7-13)15-14(19-17-21(15)10-11-23-17)16(22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2
InChIKeyBUULWWWDSGCQJW-UHFFFAOYSA-N
XLogP3.83
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (CID 134796220) is [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is O=C(c1nc2sccn2c1-c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The InChIKey is BUULWWWDSGCQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-13-6-4-12(5-7-13)15-14(19-17-21(15)10-11-23-17)16(22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2.
What are the key properties of [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
[5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone has a molecular weight of 329.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134796220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).