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

C19H19FN4O2S — CID 42094373

IUPAC6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C19H19FN4O2S/c20-14-6-2-1-5-13(14)15-11-24-16(12-27-19(24)22-15)18(26)21-8-4-10-23-9-3-7-17(23)25/h1-2,5-6,11-12H,3-4,7-10H2,(H,21,26)
InChIKeyJCGBTKZYSNCZLM-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.94
Rot. Bonds6

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

6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42094373) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42094373
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C19H19FN4O2S/c20-14-6-2-1-5-13(14)15-11-24-16(12-27-19(24)22-15)18(26)21-8-4-10-23-9-3-7-17(23)25/h1-2,5-6,11-12H,3-4,7-10H2,(H,21,26)
InChIKeyJCGBTKZYSNCZLM-UHFFFAOYSA-N
XLogP2.94
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271596
2-[(2-fluorobenzoyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 46114255
6-(2-fluorophenyl)-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46537576
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
6-(2-fluorophenyl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56701180
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
3-(2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 50959619
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051668
6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90094755

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42094373) is 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCCCN1CCCC1=O)c1csc2nc(-c3ccccc3F)cn12.
What is the InChIKey of 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is JCGBTKZYSNCZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-14-6-2-1-5-13(14)15-11-24-16(12-27-19(24)22-15)18(26)21-8-4-10-23-9-3-7-17(23)25/h1-2,5-6,11-12H,3-4,7-10H2,(H,21,26).
What are the key properties of 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42094373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).