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

C24H21FN2OS2 — CID 18271232

IUPACN-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCc1ccc(C(NC(=O)Cc2csc(-c3ccsc3)n2)c2cccc(F)c2)cc1
InChIInChI=1S/C24H21FN2OS2/c1-2-16-6-8-17(9-7-16)23(18-4-3-5-20(25)12-18)27-22(28)13-21-15-30-24(26-21)19-10-11-29-14-19/h3-12,14-15,23H,2,13H2,1H3,(H,27,28)
InChIKeyPKQVFFACWTZSNH-UHFFFAOYSA-N
MW436.58 g/mol
LogP6.02
Rot. Bonds7

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

N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 18271232) has the molecular formula C24H21FN2OS2 and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID18271232
Molecular FormulaC24H21FN2OS2
Molecular Weight436.58 g/mol
Exact Mass436.11
IUPAC NameN-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCc1ccc(C(NC(=O)Cc2csc(-c3ccsc3)n2)c2cccc(F)c2)cc1
InChIInChI=1S/C24H21FN2OS2/c1-2-16-6-8-17(9-7-16)23(18-4-3-5-20(25)12-18)27-22(28)13-21-15-30-24(26-21)19-10-11-29-14-19/h3-12,14-15,23H,2,13H2,1H3,(H,27,28)
InChIKeyPKQVFFACWTZSNH-UHFFFAOYSA-N
XLogP6.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40819824
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55776374
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 18189684
N-(4-phenylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203864
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18269391
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 46647780
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2R)-heptan-2-yl]acetamide
CID 36617877
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203960
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25389914
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 48507454
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 18271232) is N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is CCc1ccc(C(NC(=O)Cc2csc(-c3ccsc3)n2)c2cccc(F)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PKQVFFACWTZSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2OS2/c1-2-16-6-8-17(9-7-16)23(18-4-3-5-20(25)12-18)27-22(28)13-21-15-30-24(26-21)19-10-11-29-14-19/h3-12,14-15,23H,2,13H2,1H3,(H,27,28).
What are the key properties of N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 18271232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).