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

C17H15FN4O2S — CID 56701969

IUPAC6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCCNC1=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H15FN4O2S/c18-11-5-3-10(4-6-11)13-8-22-14(9-25-17(22)21-13)16(24)20-12-2-1-7-19-15(12)23/h3-6,8-9,12H,1-2,7H2,(H,19,23)(H,20,24)
InChIKeyZGUDLSJPDRJDEZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.21
Rot. Bonds3

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

6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56701969) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56701969
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCCNC1=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H15FN4O2S/c18-11-5-3-10(4-6-11)13-8-22-14(9-25-17(22)21-13)16(24)20-12-2-1-7-19-15(12)23/h3-6,8-9,12H,1-2,7H2,(H,19,23)(H,20,24)
InChIKeyZGUDLSJPDRJDEZ-UHFFFAOYSA-N
XLogP2.21
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56701969) is 6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NC1CCCNC1=O)c1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is ZGUDLSJPDRJDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c18-11-5-3-10(4-6-11)13-8-22-14(9-25-17(22)21-13)16(24)20-12-2-1-7-19-15(12)23/h3-6,8-9,12H,1-2,7H2,(H,19,23)(H,20,24).
What are the key properties of 6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56701969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).