N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

C18H17FN2OS2 — CID 20995800

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C18H17FN2OS2/c1-12-21-18(15-3-2-10-23-15)16(24-12)11-17(22)20-9-8-13-4-6-14(19)7-5-13/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyYYURKGPXROYRNH-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.22
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 20995800) has the molecular formula C18H17FN2OS2 and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID20995800
Molecular FormulaC18H17FN2OS2
Molecular Weight360.48 g/mol
Exact Mass360.08
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(-c2cccs2)c(CC(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C18H17FN2OS2/c1-12-21-18(15-3-2-10-23-15)16(24-12)11-17(22)20-9-8-13-4-6-14(19)7-5-13/h2-7,10H,8-9,11H2,1H3,(H,20,22)
InChIKeyYYURKGPXROYRNH-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 20995800) is N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is Cc1nc(-c2cccs2)c(CC(=O)NCCc2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is YYURKGPXROYRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS2/c1-12-21-18(15-3-2-10-23-15)16(24-12)11-17(22)20-9-8-13-4-6-14(19)7-5-13/h2-7,10H,8-9,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 20995800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).