N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C18H16F2N2OS2 — CID 46511782

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C18H16F2N2OS2/c1-11(12-5-6-14(19)15(20)8-12)22(2)17(23)9-13-10-25-18(21-13)16-4-3-7-24-16/h3-8,10-11H,9H2,1-2H3
InChIKeyNARZVIHZBRZYIJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.91
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 46511782) has the molecular formula C18H16F2N2OS2 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID46511782
Molecular FormulaC18H16F2N2OS2
Molecular Weight378.47 g/mol
Exact Mass378.07
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C18H16F2N2OS2/c1-11(12-5-6-14(19)15(20)8-12)22(2)17(23)9-13-10-25-18(21-13)16-4-3-7-24-16/h3-8,10-11H,9H2,1-2H3
InChIKeyNARZVIHZBRZYIJ-UHFFFAOYSA-N
XLogP4.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 26695390
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51955974
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
CID 47018873
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 42951802
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 55594558
N-[1-(2,5-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 86926512
N-(3-hydroxypropyl)-N-propan-2-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 61038550
N-[2-(dimethylamino)-2-oxoethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86997240
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054242

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 46511782) is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is NARZVIHZBRZYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2OS2/c1-11(12-5-6-14(19)15(20)8-12)22(2)17(23)9-13-10-25-18(21-13)16-4-3-7-24-16/h3-8,10-11H,9H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46511782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).