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

C20H19N3O2S — CID 110423823

IUPACN-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C20H19N3O2S/c1-14(24)21-16-8-5-9-17(12-16)22-19(25)10-11-20-23-18(13-26-20)15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyWRUUEZWSOIHQAZ-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.34
Rot. Bonds6

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

N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 110423823) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID110423823
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C20H19N3O2S/c1-14(24)21-16-8-5-9-17(12-16)22-19(25)10-11-20-23-18(13-26-20)15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyWRUUEZWSOIHQAZ-UHFFFAOYSA-N
XLogP4.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110650544
N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110426325
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-(3-cyanophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110428502
N-[3-[2-[2-(propylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103173
N-(2,6-dimethylphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110649754
N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649722
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
N-(3,5-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110408417
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 110423823) is N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WRUUEZWSOIHQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14(24)21-16-8-5-9-17(12-16)22-19(25)10-11-20-23-18(13-26-20)15-6-3-2-4-7-15/h2-9,12-13H,10-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 365.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110423823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).