2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide

C17H12ClFN2O2S — CID 1153682

IUPAC2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H12ClFN2O2S/c18-12-3-7-14(8-4-12)23-9-16(22)21-17-20-15(10-24-17)11-1-5-13(19)6-2-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyIRHIFNSLURGXRU-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.62
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1153682) has the molecular formula C17H12ClFN2O2S and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1153682
Molecular FormulaC17H12ClFN2O2S
Molecular Weight362.81 g/mol
Exact Mass362.03
IUPAC Name2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H12ClFN2O2S/c18-12-3-7-14(8-4-12)23-9-16(22)21-17-20-15(10-24-17)11-1-5-13(19)6-2-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyIRHIFNSLURGXRU-UHFFFAOYSA-N
XLogP4.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 1111960
2-(4-chlorophenoxy)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 4432169
4-(4-(4-Chlorophenoxy)Phenyl)Thiazol-2-Amine
CID 11201263
N-Benzyl-2-phenoxy-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1139390
N-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-N-phenethyl-2-phenoxy-acetamide
CID 1176056
2-(4-chloro-2-methylphenoxy)-N-[4-(2-thienyl)-1,3-thiazol-2-yl]acetamide
CID 1291535
(2-Anilino-1,3-thiazol-4-yl)methyl 2-(4-chlorophenoxy)acetate
CID 2343528
2-(4-chlorophenoxy)-N-(4-(thiophen-2-yl)thiazol-2-yl)acetamide
CID 2359907
2-(2-chlorophenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2467064
N-(4-phenylthiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 2788695
N-Benzyl-2-(4-chloro-phenoxy)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 3173505
2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 4599824

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 1153682) is 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is IRHIFNSLURGXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2S/c18-12-3-7-14(8-4-12)23-9-16(22)21-17-20-15(10-24-17)11-1-5-13(19)6-2-11/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 362.81 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1153682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).