4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol

C12H13NO3S — CID 136889074

IUPAC4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
SMILESCOC(OC)c1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C12H13NO3S/c1-15-12(16-2)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,12,14H,1-2H3
InChIKeyPDCCUXXPBLBFSK-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.81
Rot. Bonds4

About 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol

4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol (PubChem CID 136889074) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
PubChem CID136889074
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
SMILESCOC(OC)c1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C12H13NO3S/c1-15-12(16-2)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,12,14H,1-2H3
InChIKeyPDCCUXXPBLBFSK-UHFFFAOYSA-N
XLogP2.81
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol 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

4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole
CID 66057136
4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 114016215
4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
CID 66054356
(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271
4-[4-[6-(dimethoxymethyl)-3-pyridinyl]phenyl]phenol
CID 166386257
methyl 2-hydroxy-2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 70818588
4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole
CID 81274426
4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136969519
2-amino-2-[2-[4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 104527042
2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
CID 114884550
2-(2-bromo-4-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
CID 107280422
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
CID 135741995

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol (CID 136889074) is 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol is COC(OC)c1csc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is PDCCUXXPBLBFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-15-12(16-2)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,12,14H,1-2H3.
What are the key properties of 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol?
4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 251.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136889074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).