(3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide

C16H21N3O3S — CID 125444046

IUPAC(3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCOc1ccc([C@H](N)CC(=O)N(C)Cc2cscn2)cc1OC
InChIInChI=1S/C16H21N3O3S/c1-19(8-12-9-23-10-18-12)16(20)7-13(17)11-4-5-14(21-2)15(6-11)22-3/h4-6,9-10,13H,7-8,17H2,1-3H3/t13-/m1/s1
InChIKeyKMRVKXLCSPTJJG-CYBMUJFWSA-N
MW335.43 g/mol
LogP2.21
Rot. Bonds7

About (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide

(3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 125444046) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID125444046
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESCOc1ccc([C@H](N)CC(=O)N(C)Cc2cscn2)cc1OC
InChIInChI=1S/C16H21N3O3S/c1-19(8-12-9-23-10-18-12)16(20)7-13(17)11-4-5-14(21-2)15(6-11)22-3/h4-6,9-10,13H,7-8,17H2,1-3H3/t13-/m1/s1
InChIKeyKMRVKXLCSPTJJG-CYBMUJFWSA-N
XLogP2.21
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
3-(3,4-dimethoxyphenyl)-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119166971
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
CID 113497026
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 116850280
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287084
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63830557

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 125444046) is (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide is COc1ccc([C@H](N)CC(=O)N(C)Cc2cscn2)cc1OC.
What is the InChIKey of (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is KMRVKXLCSPTJJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-19(8-12-9-23-10-18-12)16(20)7-13(17)11-4-5-14(21-2)15(6-11)22-3/h4-6,9-10,13H,7-8,17H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide?
(3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 335.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 125444046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).