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

C13H14FNO2S — CID 81274426

IUPAC4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C13H14FNO2S/c1-8-6-9(14)4-5-10(8)12-15-11(7-18-12)13(16-2)17-3/h4-7,13H,1-3H3
InChIKeyUGCGNYPYQRKIJY-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.55
Rot. Bonds4

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

4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole (PubChem CID 81274426) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole
PubChem CID81274426
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C13H14FNO2S/c1-8-6-9(14)4-5-10(8)12-15-11(7-18-12)13(16-2)17-3/h4-7,13H,1-3H3
InChIKeyUGCGNYPYQRKIJY-UHFFFAOYSA-N
XLogP3.55
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole (CID 81274426) is 4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole is COC(OC)c1csc(-c2ccc(F)cc2C)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole?
The InChIKey is UGCGNYPYQRKIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-8-6-9(14)4-5-10(8)12-15-11(7-18-12)13(16-2)17-3/h4-7,13H,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole has a molecular weight of 267.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 81274426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).