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

C17H12Cl2N2O2S — CID 979319

IUPAC2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H12Cl2N2O2S/c18-12-3-1-11(2-4-12)15-10-24-17(20-15)21-16(22)9-23-14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,20,21,22)
InChIKeyVLUQJKDETJZNAW-UHFFFAOYSA-N
MW379.27 g/mol
LogP5.13
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 979319) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID979319
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C17H12Cl2N2O2S/c18-12-3-1-11(2-4-12)15-10-24-17(20-15)21-16(22)9-23-14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,20,21,22)
InChIKeyVLUQJKDETJZNAW-UHFFFAOYSA-N
XLogP5.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.27
LogP ≤ 55.13
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
4-(4-chlorophenyl)-N-(4-methoxyphenyl)thiazol-2-amine
CID 768022
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
2-(4-chloro-2-methylphenoxy)-N-[4-(2-thienyl)-1,3-thiazol-2-yl]acetamide
CID 1291535
N-({[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}carbonothioyl)-3-(2-furyl)acrylamide
CID 1346546
4-(4-chlorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine Hydrobromide
CID 2058278
(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 979319) is 2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VLUQJKDETJZNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c18-12-3-1-11(2-4-12)15-10-24-17(20-15)21-16(22)9-23-14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 379.27 g/mol, XLogP of 5.13, 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-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 979319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).