2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide

C16H18Cl2N2O2S — CID 54773872

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(C)c1csc(CCNC(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H18Cl2N2O2S/c1-10(2)13-9-23-16(20-13)5-6-19-15(21)8-22-14-4-3-11(17)7-12(14)18/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,19,21)
InChIKeyGFAQUGXEPWPFFL-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.31
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 54773872) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID54773872
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(C)c1csc(CCNC(=O)COc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H18Cl2N2O2S/c1-10(2)13-9-23-16(20-13)5-6-19-15(21)8-22-14-4-3-11(17)7-12(14)18/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,19,21)
InChIKeyGFAQUGXEPWPFFL-UHFFFAOYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717511
2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 47290674
propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 51256307
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 110718005
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,4-dichlorophenoxy)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)acetamide
CID 110661578
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide (CID 54773872) is 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is CC(C)c1csc(CCNC(=O)COc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is GFAQUGXEPWPFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-10(2)13-9-23-16(20-13)5-6-19-15(21)8-22-14-4-3-11(17)7-12(14)18/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,19,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 373.31 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 54773872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).