2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide

C18H15ClN2O2S — CID 86875522

IUPAC2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1scnc1-c1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c1-12(23-15-9-7-14(19)8-10-15)17(22)21-18-16(20-11-24-18)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
InChIKeyKXBQQXHBJYBVAY-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.87
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide

2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide (PubChem CID 86875522) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide
PubChem CID86875522
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1scnc1-c1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c1-12(23-15-9-7-14(19)8-10-15)17(22)21-18-16(20-11-24-18)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
InChIKeyKXBQQXHBJYBVAY-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 51193962
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
(2R)-2-(4-chlorophenoxy)-N-(2,6-dichlorophenyl)propanamide
CID 124506694
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
CID 170322536
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2678069
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide (CID 86875522) is 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1scnc1-c1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is KXBQQXHBJYBVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-12(23-15-9-7-14(19)8-10-15)17(22)21-18-16(20-11-24-18)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide?
2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 358.85 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 86875522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).