2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide

C18H16Cl2N2O2S — CID 8750388

IUPAC2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
SMILESC[C@@H]1CSC(N(C(=O)COc2ccc(Cl)cc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H16Cl2N2O2S/c1-12-11-25-18(21-12)22(15-6-2-13(19)3-7-15)17(23)10-24-16-8-4-14(20)5-9-16/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyWNPGXLMRQZPRGQ-GFCCVEGCSA-N
MW395.31 g/mol
LogP4.90
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide

2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide (PubChem CID 8750388) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
PubChem CID8750388
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC Name2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
SMILESC[C@@H]1CSC(N(C(=O)COc2ccc(Cl)cc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C18H16Cl2N2O2S/c1-12-11-25-18(21-12)22(15-6-2-13(19)3-7-15)17(23)10-24-16-8-4-14(20)5-9-16/h2-9,12H,10-11H2,1H3/t12-/m1/s1
InChIKeyWNPGXLMRQZPRGQ-GFCCVEGCSA-N
XLogP4.90
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
CID 8750359
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
CID 2539101
N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(3-methylphenoxy)propanamide
CID 2497344
N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
CID 8834206
N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
CID 8750367
N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
CID 8750441
2-(4-chlorophenoxy)-N-(4-methoxyphenyl)acetohydrazide
CID 163509592
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)-N-cyclopropylacetamide
CID 113095100
N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
CID 66182970

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide (CID 8750388) is 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide is C[C@@H]1CSC(N(C(=O)COc2ccc(Cl)cc2)c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
The InChIKey is WNPGXLMRQZPRGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c1-12-11-25-18(21-12)22(15-6-2-13(19)3-7-15)17(23)10-24-16-8-4-14(20)5-9-16/h2-9,12H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide has a molecular weight of 395.31 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8750388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).