(3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate

C12H11NO5S — CID 54436622

IUPAC(3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate
SMILESCOc1ccc(OC(=O)OCc2cncs2)cc1O
InChIInChI=1S/C12H11NO5S/c1-16-11-3-2-8(4-10(11)14)18-12(15)17-6-9-5-13-7-19-9/h2-5,7,14H,6H2,1H3
InChIKeyWLELWNRWNSYMJO-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.57
Rot. Bonds4

About (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate

(3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate (PubChem CID 54436622) has the molecular formula C12H11NO5S and a molecular weight of 281.29 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate
PubChem CID54436622
Molecular FormulaC12H11NO5S
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Name(3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate
SMILESCOc1ccc(OC(=O)OCc2cncs2)cc1O
InChIInChI=1S/C12H11NO5S/c1-16-11-3-2-8(4-10(11)14)18-12(15)17-6-9-5-13-7-19-9/h2-5,7,14H,6H2,1H3
InChIKeyWLELWNRWNSYMJO-UHFFFAOYSA-N
XLogP2.57
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate 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

butyl (3-hydroxy-4-methoxyphenyl) carbonate
CID 54183003
1,3-thiazol-5-ylmethyl 2-amino-4,5-dimethoxybenzoate
CID 115979329
1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640629
1,3-thiazol-5-ylmethyl 2-amino-6-methoxybenzoate
CID 112643763
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640642
(3-hydroxy-4-methoxyphenyl) (2-hydroxyphenyl) carbonate
CID 54293633
5-methoxy-2-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640692
[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640286
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641129
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
(E)-3-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]prop-2-enoic acid
CID 115979059
N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640327

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate?
The IUPAC name of (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate (CID 54436622) is (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate is COc1ccc(OC(=O)OCc2cncs2)cc1O.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate?
The InChIKey is WLELWNRWNSYMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S/c1-16-11-3-2-8(4-10(11)14)18-12(15)17-6-9-5-13-7-19-9/h2-5,7,14H,6H2,1H3.
What are the key properties of (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate?
(3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate has a molecular weight of 281.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyphenyl) 1,3-thiazol-5-ylmethyl carbonate is sourced from PubChem (CID 54436622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).