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

C20H19ClN2O3S — CID 17034532

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C20H19ClN2O3S/c1-25-17-8-4-5-9-18(17)26-11-10-19(24)23-20-22-13-15(27-20)12-14-6-2-3-7-16(14)21/h2-9,13H,10-12H2,1H3,(H,22,23,24)
InChIKeyVNFMOBNGLHCWDG-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.80
Rot. Bonds8

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

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide (PubChem CID 17034532) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
PubChem CID17034532
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C20H19ClN2O3S/c1-25-17-8-4-5-9-18(17)26-11-10-19(24)23-20-22-13-15(27-20)12-14-6-2-3-7-16(14)21/h2-9,13H,10-12H2,1H3,(H,22,23,24)
InChIKeyVNFMOBNGLHCWDG-UHFFFAOYSA-N
XLogP4.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17034536
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18836122
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 17033979
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 23939959
N-[1-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55480724
2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 24593975
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55480337

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide (CID 17034532) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide is COc1ccccc1OCCC(=O)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide?
The InChIKey is VNFMOBNGLHCWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-25-17-8-4-5-9-18(17)26-11-10-19(24)23-20-22-13-15(27-20)12-14-6-2-3-7-16(14)21/h2-9,13H,10-12H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide has a molecular weight of 402.90 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 17034532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).