2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

C20H19FN2O2S — CID 86921719

IUPAC2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-13(14-6-10-17(25-3)11-7-14)23(2)20(24)18-12-26-19(22-18)15-4-8-16(21)9-5-15/h4-13H,1-3H3
InChIKeyYBVLEWHULAJTDG-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 86921719) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID86921719
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-13(14-6-10-17(25-3)11-7-14)23(2)20(24)18-12-26-19(22-18)15-4-8-16(21)9-5-15/h4-13H,1-3H3
InChIKeyYBVLEWHULAJTDG-UHFFFAOYSA-N
XLogP4.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135820
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55437304
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067894
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695081
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067949
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 95977103
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24609849
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874191

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 86921719) is 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is COc1ccc(C(C)N(C)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YBVLEWHULAJTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13(14-6-10-17(25-3)11-7-14)23(2)20(24)18-12-26-19(22-18)15-4-8-16(21)9-5-15/h4-13H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86921719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).