N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide

C18H14Cl2N2O2S — CID 4527015

IUPACN-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ncc(-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C18H14Cl2N2O2S/c19-14-7-6-12(10-15(14)20)16-11-21-18(25-16)22-17(23)8-9-24-13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,21,22,23)
InChIKeyPHFLBJKWQXOHPP-UHFFFAOYSA-N
MW393.30 g/mol
LogP5.52
Rot. Bonds6

About N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide

N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide (PubChem CID 4527015) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide
PubChem CID4527015
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC NameN-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ncc(-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C18H14Cl2N2O2S/c19-14-7-6-12(10-15(14)20)16-11-21-18(25-16)22-17(23)8-9-24-13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,21,22,23)
InChIKeyPHFLBJKWQXOHPP-UHFFFAOYSA-N
XLogP5.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

N-[5-(2,5-dichlorobenzyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 3124798
4-(3-chloro-5-methyl-phenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 155513932
2-(4-chlorophenoxy)-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]acetamide
CID 4418495
N-{5-[(3-Chlorophenyl)methyl]-1,3-thiazol-2-YL}-2-(2-methylphenoxy)acetamide
CID 2130450
N-[5-(4-Chloro-benzyl)-thiazol-2-yl]-2-(3-trifluoromethyl-phenoxy)-acetamide
CID 1113638
N-[5-(3,4-dichlorobenzyl)-1,3-thiazol-2-yl]-N~2~-(4-methoxyphenyl)glycinamide
CID 2239829
4-phenoxy-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 84330289
tert-butyl N-[5-[(4-benzylphenoxy)-(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamate
CID 155530795
tert-butyl N-[5-[(4-chlorophenyl)-(4-phenylmethoxyphenoxy)methyl]-1,3-thiazol-2-yl]carbamate
CID 155537770
tert-butyl N-[5-[(3-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamate
CID 155543108
tert-butyl N-[5-[(4-chlorophenyl)-[4-(2-methoxyethyl)phenoxy]methyl]-1,3-thiazol-2-yl]carbamate
CID 155557186
N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1113614

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide?
The IUPAC name of N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide (CID 4527015) is N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ncc(-c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide?
The InChIKey is PHFLBJKWQXOHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c19-14-7-6-12(10-15(14)20)16-11-21-18(25-16)22-17(23)8-9-24-13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,21,22,23).
What are the key properties of N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide?
N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide has a molecular weight of 393.30 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-phenoxypropanamide is sourced from PubChem (CID 4527015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).