4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole

C13H14FNO3S — CID 114016215

IUPAC4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cc(-c2nc(C(OC)OC)cs2)ccc1F
InChIInChI=1S/C13H14FNO3S/c1-16-11-6-8(4-5-9(11)14)12-15-10(7-19-12)13(17-2)18-3/h4-7,13H,1-3H3
InChIKeyPAXWMJSTFHSJNB-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.25
Rot. Bonds5

About 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole

4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole (PubChem CID 114016215) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
PubChem CID114016215
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Name4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
SMILESCOc1cc(-c2nc(C(OC)OC)cs2)ccc1F
InChIInChI=1S/C13H14FNO3S/c1-16-11-6-8(4-5-9(11)14)12-15-10(7-19-12)13(17-2)18-3/h4-7,13H,1-3H3
InChIKeyPAXWMJSTFHSJNB-UHFFFAOYSA-N
XLogP3.25
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 107923260
4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
CID 66054356
4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole
CID 66057136
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889074
2-[2-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 107922554
1-[2-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 65096351
2-(2-bromo-4-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
CID 107280422
2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
CID 114884550
5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943827
3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
CID 102943492
1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82515888

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole (CID 114016215) is 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole is COc1cc(-c2nc(C(OC)OC)cs2)ccc1F.
What is the InChIKey of 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole?
The InChIKey is PAXWMJSTFHSJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c1-16-11-6-8(4-5-9(11)14)12-15-10(7-19-12)13(17-2)18-3/h4-7,13H,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole has a molecular weight of 283.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 114016215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).