3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one

C14H13NO3S — CID 65323692

IUPAC3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one
SMILESCOc1ccc(C#CCO)c(Cn2ccsc2=O)c1
InChIInChI=1S/C14H13NO3S/c1-18-13-5-4-11(3-2-7-16)12(9-13)10-15-6-8-19-14(15)17/h4-6,8-9,16H,7,10H2,1H3
InChIKeyAWZBTGSHRTZBRR-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.31
Rot. Bonds3

About 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one

3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one (PubChem CID 65323692) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one
PubChem CID65323692
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one
SMILESCOc1ccc(C#CCO)c(Cn2ccsc2=O)c1
InChIInChI=1S/C14H13NO3S/c1-18-13-5-4-11(3-2-7-16)12(9-13)10-15-6-8-19-14(15)17/h4-6,8-9,16H,7,10H2,1H3
InChIKeyAWZBTGSHRTZBRR-UHFFFAOYSA-N
XLogP1.31
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one 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

3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 65323738
3-[4-methoxy-2-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]prop-2-enoic acid
CID 77065452
3-[4-methoxy-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 65322620
3-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1,3-thiazol-2-one
CID 63312367
3-[2-(ethoxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323748
3-[[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]methyl]-1,3-thiazol-2-one
CID 55206177
3-[4-methoxy-2-(propan-2-ylsulfanylmethyl)phenyl]prop-2-yn-1-ol
CID 65323426
3-[2-[(3,3-dimethylmorpholin-4-yl)methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65322041
3-[4-methoxy-2-(2-methylpropoxymethyl)phenyl]prop-2-yn-1-ol
CID 65323849
2-[2-(3-hydroxyprop-1-ynyl)-4-methoxyphenyl]acetic acid
CID 169485688
3-[4-methoxy-2-(1-methoxypropan-2-yloxymethyl)phenyl]prop-2-yn-1-ol
CID 65323471
3-[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-yn-1-ol
CID 115383351

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one (CID 65323692) is 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one is COc1ccc(C#CCO)c(Cn2ccsc2=O)c1.
What is the InChIKey of 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one?
The InChIKey is AWZBTGSHRTZBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-13-5-4-11(3-2-7-16)12(9-13)10-15-6-8-19-14(15)17/h4-6,8-9,16H,7,10H2,1H3.
What are the key properties of 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one?
3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one has a molecular weight of 275.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-hydroxyprop-1-ynyl)-5-methoxyphenyl]methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 65323692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).