6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C27H21FN5O2S+ — CID 123303364

IUPAC6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc[n+]4c(c3)C(=O)NC4(C)c3ccccc3)cn12
InChIInChI=1S/C27H20FN5O2S/c1-27(18-6-4-3-5-7-18)31-24(34)20-14-17(12-13-33(20)27)21-15-32-23(25(35)29-2)22(30-26(32)36-21)16-8-10-19(28)11-9-16/h3-15H,1-2H3,(H-,29,31,34,35)/p+1
InChIKeyKBZNGZVACIWGSW-UHFFFAOYSA-O
MW498.56 g/mol
LogP3.98
Rot. Bonds4

About 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 123303364) has the molecular formula C27H21FN5O2S+ and a molecular weight of 498.56 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID123303364
Molecular FormulaC27H21FN5O2S+
Molecular Weight498.56 g/mol
Exact Mass498.14
IUPAC Name6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc[n+]4c(c3)C(=O)NC4(C)c3ccccc3)cn12
InChIInChI=1S/C27H20FN5O2S/c1-27(18-6-4-3-5-7-18)31-24(34)20-14-17(12-13-33(20)27)21-15-32-23(25(35)29-2)22(30-26(32)36-21)16-8-10-19(28)11-9-16/h3-15H,1-2H3,(H-,29,31,34,35)/p+1
InChIKeyKBZNGZVACIWGSW-UHFFFAOYSA-O
XLogP3.98
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
2-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018313
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-thiazole-5-carboxamide
CID 25190513
4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469619
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
N-(3-(5-(2-(4-(2-(dimethylamino)ethyl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46865992
N~7~-[3-(1-azepanyl)propyl]-2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxamide
CID 16018540
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
Imidazo[2,1-b]thiazole-5-carboxamide,6-methyl-N-[(3R)-1-[[2-methyl-5-(3-methylphenyl)-4-thiazolyl]carbonyl]-3-piperidinyl]-
CID 24808511
Imidazo[2,1-b]thiazole-5-carboxamide,6-methyl-N-[[(1S,3S,5S)-2-[[2-methyl-5-(3-methylphenyl)-4-thiazolyl]carbonyl]-2-azabicyclo[3.1.0]hex-3-yl]Methyl]-
CID 24853522

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 123303364) is 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc[n+]4c(c3)C(=O)NC4(C)c3ccccc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is KBZNGZVACIWGSW-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H20FN5O2S/c1-27(18-6-4-3-5-7-18)31-24(34)20-14-17(12-13-33(20)27)21-15-32-23(25(35)29-2)22(30-26(32)36-21)16-8-10-19(28)11-9-16/h3-15H,1-2H3,(H-,29,31,34,35)/p+1.
What are the key properties of 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-methyl-2-(3-methyl-1-oxo-3-phenyl-2H-imidazo[1,5-a]pyridin-4-ium-7-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 123303364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).