2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide

C12H11ClN2O2S — CID 720854

IUPAC2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nccs1
InChIInChI=1S/C12H11ClN2O2S/c1-8-6-9(13)2-3-10(8)17-7-11(16)15-12-14-4-5-18-12/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeySIVJBYOPHAOOMT-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 720854) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID720854
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nccs1
InChIInChI=1S/C12H11ClN2O2S/c1-8-6-9(13)2-3-10(8)17-7-11(16)15-12-14-4-5-18-12/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeySIVJBYOPHAOOMT-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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Related Compounds

Acetamide, 2-(2,4-dichlorophenoxy)-N-thiazol-2-yl-
CID 667798
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
6-chloro-2-oxo-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 780578
2-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 888214
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4944777
2-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 693869
2-(4-ethoxyphenoxy)-N-1,3-thiazol-2-ylacetamide
CID 732622
2-(4-chloro-2-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 4599824
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276
2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 90643646
HIV-1 inhibitor-36
CID 145420166

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide (CID 720854) is 2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1nccs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SIVJBYOPHAOOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-8-6-9(13)2-3-10(8)17-7-11(16)15-12-14-4-5-18-12/h2-6H,7H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(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-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 720854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).