N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C21H17FN4O3S — CID 55382472

IUPACN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H17FN4O3S/c22-15-5-3-13(4-6-15)18-19(26-7-9-30-21(26)23-18)24-20(28)14-10-17(27)25(11-14)12-16-2-1-8-29-16/h1-9,14H,10-12H2,(H,24,28)
InChIKeyXWZILPZVVDDXES-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.78
Rot. Bonds5

About N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55382472) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55382472
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H17FN4O3S/c22-15-5-3-13(4-6-15)18-19(26-7-9-30-21(26)23-18)24-20(28)14-10-17(27)25(11-14)12-16-2-1-8-29-16/h1-9,14H,10-12H2,(H,24,28)
InChIKeyXWZILPZVVDDXES-UHFFFAOYSA-N
XLogP3.78
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
(3S)-N-(4-fluoro-2-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8864389
(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9398778
1-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880978
(3R)-N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968878
(3R)-N-(1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8882067
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide
CID 55382648
N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55591046
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 51154195

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 55382472) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XWZILPZVVDDXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c22-15-5-3-13(4-6-15)18-19(26-7-9-30-21(26)23-18)24-20(28)14-10-17(27)25(11-14)12-16-2-1-8-29-16/h1-9,14H,10-12H2,(H,24,28).
What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55382472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).