4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole

C15H18FNO2S — CID 66055748

IUPAC4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole
SMILESCOC(OC)c1csc(C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FNO2S/c1-15(2,10-5-7-11(16)8-6-10)14-17-12(9-20-14)13(18-3)19-4/h5-9,13H,1-4H3
InChIKeyRQVJTZJLQLKQQG-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.90
Rot. Bonds5

About 4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole

4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole (PubChem CID 66055748) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole
PubChem CID66055748
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole
SMILESCOC(OC)c1csc(C(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FNO2S/c1-15(2,10-5-7-11(16)8-6-10)14-17-12(9-20-14)13(18-3)19-4/h5-9,13H,1-4H3
InChIKeyRQVJTZJLQLKQQG-UHFFFAOYSA-N
XLogP3.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.90
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-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole (CID 66055748) is 4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole is COC(OC)c1csc(C(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole?
The InChIKey is RQVJTZJLQLKQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-15(2,10-5-7-11(16)8-6-10)14-17-12(9-20-14)13(18-3)19-4/h5-9,13H,1-4H3.
What are the key properties of 4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole?
4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole has a molecular weight of 295.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole is sourced from PubChem (CID 66055748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).