2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid

C15H17NO5S — CID 67836718

IUPAC2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid
SMILESCOC=CC(=O)O.COc1nc(COc2ccccc2)cs1
InChIInChI=1S/C11H11NO2S.C4H6O3/c1-13-11-12-9(8-15-11)7-14-10-5-3-2-4-6-10;1-7-3-2-4(5)6/h2-6,8H,7H2,1H3;2-3H,1H3,(H,5,6)
InChIKeySWYTZDYUKHFIIH-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.96
Rot. Bonds6

About 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid

2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid (PubChem CID 67836718) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid.

Molecular Properties

Compound Name2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid
PubChem CID67836718
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid
SMILESCOC=CC(=O)O.COc1nc(COc2ccccc2)cs1
InChIInChI=1S/C11H11NO2S.C4H6O3/c1-13-11-12-9(8-15-11)7-14-10-5-3-2-4-6-10;1-7-3-2-4(5)6/h2-6,8H,7H2,1H3;2-3H,1H3,(H,5,6)
InChIKeySWYTZDYUKHFIIH-UHFFFAOYSA-N
XLogP2.96
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid 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

2-chloro-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid
CID 67836915
3-methoxyprop-2-enoic acid;2-methylsulfanyl-4-(phenoxymethyl)-1,3-thiazole
CID 67836859
N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
CID 51124164
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 51173434
sodium 2-(2-methoxy-1,3-thiazol-4-yl)acetate
CID 90150897
2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole
CID 47287665
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
3-methoxy-2-[[6-(phenoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid
CID 54242494
5-methylsulfanyl-4-[4-(phenoxymethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid
CID 141025732
(E)-N-benzyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 46697459
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid?
The IUPAC name of 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid (CID 67836718) is 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid.
What is the SMILES notation for 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid?
The canonical SMILES for 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid is COC=CC(=O)O.COc1nc(COc2ccccc2)cs1.
What is the InChIKey of 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid?
The InChIKey is SWYTZDYUKHFIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S.C4H6O3/c1-13-11-12-9(8-15-11)7-14-10-5-3-2-4-6-10;1-7-3-2-4(5)6/h2-6,8H,7H2,1H3;2-3H,1H3,(H,5,6).
What are the key properties of 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid?
2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid has a molecular weight of 323.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(phenoxymethyl)-1,3-thiazole;3-methoxyprop-2-enoic acid is sourced from PubChem (CID 67836718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).