6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H20FN3O2S — CID 42287930

IUPAC6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC=CCC(O)(CC=C)CNC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H20FN3O2S/c1-3-9-20(26,10-4-2)13-22-18(25)17-12-27-19-23-16(11-24(17)19)14-5-7-15(21)8-6-14/h3-8,11-12,26H,1-2,9-10,13H2,(H,22,25)
InChIKeyQZABIJUDWMHGRX-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.82
Rot. Bonds8

About 6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42287930) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42287930
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESC=CCC(O)(CC=C)CNC(=O)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C20H20FN3O2S/c1-3-9-20(26,10-4-2)13-22-18(25)17-12-27-19-23-16(11-24(17)19)14-5-7-15(21)8-6-14/h3-8,11-12,26H,1-2,9-10,13H2,(H,22,25)
InChIKeyQZABIJUDWMHGRX-UHFFFAOYSA-N
XLogP3.82
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270327
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270425
6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26401845
6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270471
N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270462
6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56718509
N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270429
N-(1H-1,2,4-triazol-5-ylmethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56707592
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42516856
6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56701969

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42287930) is 6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is C=CCC(O)(CC=C)CNC(=O)c1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is QZABIJUDWMHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-3-9-20(26,10-4-2)13-22-18(25)17-12-27-19-23-16(11-24(17)19)14-5-7-15(21)8-6-14/h3-8,11-12,26H,1-2,9-10,13H2,(H,22,25).
What are the key properties of 6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.82, 8 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-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42287930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).