3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide

C22H23N3O4S — CID 24686062

IUPAC3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCOc1ccc(-c2csc(NC(=O)CC(NC(C)=O)c3ccccc3)n2)cc1OC
InChIInChI=1S/C22H23N3O4S/c1-14(26)23-17(15-7-5-4-6-8-15)12-21(27)25-22-24-18(13-30-22)16-9-10-19(28-2)20(11-16)29-3/h4-11,13,17H,12H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyRAXNUBGUMFGMSY-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.03
Rot. Bonds8

About 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide

3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 24686062) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID24686062
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCOc1ccc(-c2csc(NC(=O)CC(NC(C)=O)c3ccccc3)n2)cc1OC
InChIInChI=1S/C22H23N3O4S/c1-14(26)23-17(15-7-5-4-6-8-15)12-21(27)25-22-24-18(13-30-22)16-9-10-19(28-2)20(11-16)29-3/h4-11,13,17H,12H2,1-3H3,(H,23,26)(H,24,25,27)
InChIKeyRAXNUBGUMFGMSY-UHFFFAOYSA-N
XLogP4.03
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 55487188
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 40880417
(3R)-3-acetamido-N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 41406312
(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 4857714
(3R)-3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 42494706
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621
(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 41228511
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 24686062) is 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide is COc1ccc(-c2csc(NC(=O)CC(NC(C)=O)c3ccccc3)n2)cc1OC.
What is the InChIKey of 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is RAXNUBGUMFGMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-14(26)23-17(15-7-5-4-6-8-15)12-21(27)25-22-24-18(13-30-22)16-9-10-19(28-2)20(11-16)29-3/h4-11,13,17H,12H2,1-3H3,(H,23,26)(H,24,25,27).
What are the key properties of 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 425.51 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 24686062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).