5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one

C15H20N2O4S — CID 123459473

IUPAC5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCOc1ccc(OCCCN)c(CCc2sc(=O)[nH]c2O)c1
InChIInChI=1S/C15H20N2O4S/c1-20-11-4-5-12(21-8-2-7-16)10(9-11)3-6-13-14(18)17-15(19)22-13/h4-5,9,18H,2-3,6-8,16H2,1H3,(H,17,19)
InChIKeyVDTGSQYJPIPIPQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.66
Rot. Bonds8

About 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 123459473) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID123459473
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESCOc1ccc(OCCCN)c(CCc2sc(=O)[nH]c2O)c1
InChIInChI=1S/C15H20N2O4S/c1-20-11-4-5-12(21-8-2-7-16)10(9-11)3-6-13-14(18)17-15(19)22-13/h4-5,9,18H,2-3,6-8,16H2,1H3,(H,17,19)
InChIKeyVDTGSQYJPIPIPQ-UHFFFAOYSA-N
XLogP1.66
TPSA97.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
4-hydroxy-5-[3-[3-[4-[3-(2-methoxyphenyl)phenoxy]-2-propylphenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one
CID 91297256
2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
CID 118770535
4-hydroxy-5-[4-[3-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]-2-propylphenoxy]propoxy]phenyl]-3H-1,3-thiazol-2-one
CID 90993285
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
5-[4-[3-[4-(4-cyclopentylphenoxy)-2-propylphenoxy]propoxy]phenyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91932576
4-hydroxy-5-[4-[3-(2-propyl-4-pyrazin-2-yloxyphenoxy)propoxy]phenyl]-3H-1,3-thiazol-2-one
CID 54139936
2-[5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanamine
CID 61490558
ethyl 4-[4-[3-[3-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)phenoxy]propoxy]-3-propylphenoxy]benzoate
CID 90917635
N-[4-[4-[3-[4-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)phenoxy]propoxy]-3-propylphenoxy]phenyl]methanesulfonamide
CID 91932571
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
2-(2,5-dimethoxyphenyl)ethyl carbamate
CID 175601601

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 123459473) is 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one is COc1ccc(OCCCN)c(CCc2sc(=O)[nH]c2O)c1.
What is the InChIKey of 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is VDTGSQYJPIPIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-20-11-4-5-12(21-8-2-7-16)10(9-11)3-6-13-14(18)17-15(19)22-13/h4-5,9,18H,2-3,6-8,16H2,1H3,(H,17,19).
What are the key properties of 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 324.40 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 123459473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).