2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide

C24H24FN3O2S — CID 90547428

IUPAC2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c1
InChIInChI=1S/C24H24FN3O2S/c1-14-5-6-15(2)21(11-14)30-17(4)23(29)26-12-22-16(3)28-13-20(27-24(28)31-22)18-7-9-19(25)10-8-18/h5-11,13,17H,12H2,1-4H3,(H,26,29)
InChIKeyLURDQQPRTVGRFP-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.21
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide

2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide (PubChem CID 90547428) has the molecular formula C24H24FN3O2S and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide
PubChem CID90547428
Molecular FormulaC24H24FN3O2S
Molecular Weight437.54 g/mol
Exact Mass437.16
IUPAC Name2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c1
InChIInChI=1S/C24H24FN3O2S/c1-14-5-6-15(2)21(11-14)30-17(4)23(29)26-12-22-16(3)28-13-20(27-24(28)31-22)18-7-9-19(25)10-8-18/h5-11,13,17H,12H2,1-4H3,(H,26,29)
InChIKeyLURDQQPRTVGRFP-UHFFFAOYSA-N
XLogP5.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 90547458
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide
CID 90547365
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 90547654
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 90547375
3,4-difluoro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzamide
CID 90547443
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 90547451
1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90547614
2-(4-chlorophenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
CID 90547335
N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 22578767
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90547482
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 90547400
1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea
CID 71795881

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide (CID 90547428) is 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide is Cc1ccc(C)c(OC(C)C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide?
The InChIKey is LURDQQPRTVGRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2S/c1-14-5-6-15(2)21(11-14)30-17(4)23(29)26-12-22-16(3)28-13-20(27-24(28)31-22)18-7-9-19(25)10-8-18/h5-11,13,17H,12H2,1-4H3,(H,26,29).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide has a molecular weight of 437.54 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]propanamide is sourced from PubChem (CID 90547428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).