N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

C20H18F2N2O3S — CID 46551536

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NC(C)c3ccc(F)c(F)c3)cs2)c1OC
InChIInChI=1S/C20H18F2N2O3S/c1-11(12-7-8-14(21)15(22)9-12)23-19(25)16-10-28-20(24-16)13-5-4-6-17(26-2)18(13)27-3/h4-11H,1-3H3,(H,23,25)
InChIKeyGLOKIBPKJRQSKW-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.60
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46551536) has the molecular formula C20H18F2N2O3S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46551536
Molecular FormulaC20H18F2N2O3S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NC(C)c3ccc(F)c(F)c3)cs2)c1OC
InChIInChI=1S/C20H18F2N2O3S/c1-11(12-7-8-14(21)15(22)9-12)23-19(25)16-10-28-20(24-16)13-5-4-6-17(26-2)18(13)27-3/h4-11H,1-3H3,(H,23,25)
InChIKeyGLOKIBPKJRQSKW-UHFFFAOYSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 45355568
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
2-(3,4-dimethoxyphenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 24502013
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 51150833
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78881475
2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55407765
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46551536) is N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cccc(-c2nc(C(=O)NC(C)c3ccc(F)c(F)c3)cs2)c1OC.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GLOKIBPKJRQSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3S/c1-11(12-7-8-14(21)15(22)9-12)23-19(25)16-10-28-20(24-16)13-5-4-6-17(26-2)18(13)27-3/h4-11H,1-3H3,(H,23,25).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46551536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).