N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C22H18F3N3OS — CID 134800085

IUPACN-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H18F3N3OS/c23-22(24,25)17-10-4-9-16(14-17)19-18(27-21-28(19)12-13-30-21)20(29)26-11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,12-14H,5,8,11H2,(H,26,29)
InChIKeyLECDSPOUYAFPRG-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.44
Rot. Bonds6

About N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134800085) has the molecular formula C22H18F3N3OS and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134800085
Molecular FormulaC22H18F3N3OS
Molecular Weight429.47 g/mol
Exact Mass429.11
IUPAC NameN-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCCCc1ccccc1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H18F3N3OS/c23-22(24,25)17-10-4-9-16(14-17)19-18(27-21-28(19)12-13-30-21)20(29)26-11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,12-14H,5,8,11H2,(H,26,29)
InChIKeyLECDSPOUYAFPRG-UHFFFAOYSA-N
XLogP5.44
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134800085) is N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCCCc1ccccc1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is LECDSPOUYAFPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3OS/c23-22(24,25)17-10-4-9-16(14-17)19-18(27-21-28(19)12-13-30-21)20(29)26-11-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,12-14H,5,8,11H2,(H,26,29).
What are the key properties of N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134800085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).