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

C20H20N2O3S — CID 4812491

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESCOc1ccc(-c2nc(NC(=O)C(C)Oc3ccccc3)sc2C)cc1
InChIInChI=1S/C20H20N2O3S/c1-13(25-17-7-5-4-6-8-17)19(23)22-20-21-18(14(2)26-20)15-9-11-16(24-3)12-10-15/h4-13H,1-3H3,(H,21,22,23)
InChIKeyNZZAJEUMIVJLPC-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.53
Rot. Bonds6

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

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide (PubChem CID 4812491) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
PubChem CID4812491
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESCOc1ccc(-c2nc(NC(=O)C(C)Oc3ccccc3)sc2C)cc1
InChIInChI=1S/C20H20N2O3S/c1-13(25-17-7-5-4-6-8-17)19(23)22-20-21-18(14(2)26-20)15-9-11-16(24-3)12-10-15/h4-13H,1-3H3,(H,21,22,23)
InChIKeyNZZAJEUMIVJLPC-UHFFFAOYSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325
2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 19203493
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747930
(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 119264683
2-(4-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 108761142
2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 120984258
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
(4R)-4-hydroxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-phenylbutanamide
CID 126211741
(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7747065
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide (CID 4812491) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide is COc1ccc(-c2nc(NC(=O)C(C)Oc3ccccc3)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The InChIKey is NZZAJEUMIVJLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13(25-17-7-5-4-6-8-17)19(23)22-20-21-18(14(2)26-20)15-9-11-16(24-3)12-10-15/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide has a molecular weight of 368.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 4812491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).