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

C13H14FNO2S2 — CID 66053043

IUPAC4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESCOC(OC)c1csc(CSc2ccccc2F)n1
InChIInChI=1S/C13H14FNO2S2/c1-16-13(17-2)10-7-19-12(15-10)8-18-11-6-4-3-5-9(11)14/h3-7,13H,8H2,1-2H3
InChIKeyNNJIRRGPCQWLFS-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.87
Rot. Bonds6

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

4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 66053043) has the molecular formula C13H14FNO2S2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID66053043
Molecular FormulaC13H14FNO2S2
Molecular Weight299.39 g/mol
Exact Mass299.04
IUPAC Name4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESCOC(OC)c1csc(CSc2ccccc2F)n1
InChIInChI=1S/C13H14FNO2S2/c1-16-13(17-2)10-7-19-12(15-10)8-18-11-6-4-3-5-9(11)14/h3-7,13H,8H2,1-2H3
InChIKeyNNJIRRGPCQWLFS-UHFFFAOYSA-N
XLogP3.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.87
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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole (CID 66053043) is 4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole is COC(OC)c1csc(CSc2ccccc2F)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is NNJIRRGPCQWLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S2/c1-16-13(17-2)10-7-19-12(15-10)8-18-11-6-4-3-5-9(11)14/h3-7,13H,8H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 299.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 66053043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).