2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C20H19F2N3O2S — CID 17405097

IUPAC2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CNC(C)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C20H19F2N3O2S/c1-12(14-5-8-16(21)17(22)9-14)23-10-19(26)25-20-24-18(11-28-20)13-3-6-15(27-2)7-4-13/h3-9,11-12,23H,10H2,1-2H3,(H,24,25,26)
InChIKeyOGQQOFFUKMIGRI-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.39
Rot. Bonds7

About 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 17405097) has the molecular formula C20H19F2N3O2S and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID17405097
Molecular FormulaC20H19F2N3O2S
Molecular Weight403.45 g/mol
Exact Mass403.12
IUPAC Name2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CNC(C)c3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C20H19F2N3O2S/c1-12(14-5-8-16(21)17(22)9-14)23-10-19(26)25-20-24-18(11-28-20)13-3-6-15(27-2)7-4-13/h3-9,11-12,23H,10H2,1-2H3,(H,24,25,26)
InChIKeyOGQQOFFUKMIGRI-UHFFFAOYSA-N
XLogP4.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
2-(2,4-difluorophenyl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8837208
2-[1-(2,4-difluorophenyl)ethylamino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 112800956
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[(1R)-1-(4-propylphenyl)ethyl]amino]acetamide
CID 29049968
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
N-[1-(3,4-difluorophenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 45355568
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
(2S,3S)-2-[[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100325
2-(5-chloro-2-methoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171133880

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 17405097) is 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)CNC(C)c3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OGQQOFFUKMIGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2S/c1-12(14-5-8-16(21)17(22)9-14)23-10-19(26)25-20-24-18(11-28-20)13-3-6-15(27-2)7-4-13/h3-9,11-12,23H,10H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 403.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 17405097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).