3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide

C16H20N2O4S — CID 149016806

IUPAC3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESCOc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1OC
InChIInChI=1S/C16H20N2O4S/c1-21-13-6-3-11(9-14(13)22-2)4-8-16-17-12(10-23-16)5-7-15(19)18-20/h3,6,9-10,20H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeyQCRSLSTWSPYKAJ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.38
Rot. Bonds8

About 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide

3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide (PubChem CID 149016806) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
PubChem CID149016806
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESCOc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1OC
InChIInChI=1S/C16H20N2O4S/c1-21-13-6-3-11(9-14(13)22-2)4-8-16-17-12(10-23-16)5-7-15(19)18-20/h3,6,9-10,20H,4-5,7-8H2,1-2H3,(H,18,19)
InChIKeyQCRSLSTWSPYKAJ-UHFFFAOYSA-N
XLogP2.38
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-4-yl]propanamide
CID 148951442
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333516
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108737608
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648739
2-[(3,4-dimethoxyphenyl)methyl]-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
CID 111911707
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894
2-(3,4-dimethoxyphenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572152
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110742436
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111214141

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide (CID 149016806) is 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide is COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1OC.
What is the InChIKey of 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The InChIKey is QCRSLSTWSPYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-21-13-6-3-11(9-14(13)22-2)4-8-16-17-12(10-23-16)5-7-15(19)18-20/h3,6,9-10,20H,4-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide?
3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide has a molecular weight of 336.41 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 149016806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).