2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C12H11ClN2O2S — CID 804227

IUPAC2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H11ClN2O2S/c1-8-6-14-12(18-8)15-11(16)7-17-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyNNFCBNZHATZFKQ-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 804227) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID804227
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H11ClN2O2S/c1-8-6-14-12(18-8)15-11(16)7-17-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyNNFCBNZHATZFKQ-UHFFFAOYSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 804227) is 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)COc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NNFCBNZHATZFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-8-6-14-12(18-8)15-11(16)7-17-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 282.75 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 804227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).