2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C18H14Cl2N2O2S — CID 2917163

IUPAC2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11(24-16-8-7-13(19)9-14(16)20)17(23)22-18-21-15(10-25-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22,23)
InChIKeyDATUQEIWOFTRCR-UHFFFAOYSA-N
MW393.30 g/mol
LogP5.52
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 2917163) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID2917163
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11(24-16-8-7-13(19)9-14(16)20)17(23)22-18-21-15(10-25-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22,23)
InChIKeyDATUQEIWOFTRCR-UHFFFAOYSA-N
XLogP5.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.30
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388
2-(2,4-dichlorophenoxy)-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]propanamide
CID 4547348
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide
CID 4551980
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
2-(4-chloro-2-methylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19194808
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
2-(2,4-dichlorophenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748409
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775704
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 20896160
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 19194806
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 2917163) is 2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is DATUQEIWOFTRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-11(24-16-8-7-13(19)9-14(16)20)17(23)22-18-21-15(10-25-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 393.30 g/mol, XLogP of 5.52, 5 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-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2917163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).