N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide

C20H18Cl2N2O3S — CID 17033979

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C20H18Cl2N2O3S/c1-12(27-18-6-4-3-5-17(18)26-2)19(25)24-20-23-11-15(28-20)9-13-7-8-14(21)10-16(13)22/h3-8,10-12H,9H2,1-2H3,(H,23,24,25)
InChIKeyYYFPWIWFSOEARF-UHFFFAOYSA-N
MW437.35 g/mol
LogP5.46
Rot. Bonds7

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

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide (PubChem CID 17033979) has the molecular formula C20H18Cl2N2O3S and a molecular weight of 437.35 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide
PubChem CID17033979
Molecular FormulaC20H18Cl2N2O3S
Molecular Weight437.35 g/mol
Exact Mass436.04
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C20H18Cl2N2O3S/c1-12(27-18-6-4-3-5-17(18)26-2)19(25)24-20-23-11-15(28-20)9-13-7-8-14(21)10-16(13)22/h3-8,10-12H,9H2,1-2H3,(H,23,24,25)
InChIKeyYYFPWIWFSOEARF-UHFFFAOYSA-N
XLogP5.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.35
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24647201
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190948
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 17034532
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)propanamide
CID 9172784
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 24628775
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 18836184
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
CID 17034116

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide (CID 17033979) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide is COc1ccccc1OC(C)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide?
The InChIKey is YYFPWIWFSOEARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3S/c1-12(27-18-6-4-3-5-17(18)26-2)19(25)24-20-23-11-15(28-20)9-13-7-8-14(21)10-16(13)22/h3-8,10-12H,9H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide has a molecular weight of 437.35 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 17033979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).