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

C13H14FNO2S2 — CID 66070178

IUPAC4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESCOC(OC)c1csc(CSc2cccc(F)c2)n1
InChIInChI=1S/C13H14FNO2S2/c1-16-13(17-2)11-7-19-12(15-11)8-18-10-5-3-4-9(14)6-10/h3-7,13H,8H2,1-2H3
InChIKeySPRLVCBZOGQNLE-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.87
Rot. Bonds6

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

4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 66070178) has the molecular formula C13H14FNO2S2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID66070178
Molecular FormulaC13H14FNO2S2
Molecular Weight299.39 g/mol
Exact Mass299.04
IUPAC Name4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESCOC(OC)c1csc(CSc2cccc(F)c2)n1
InChIInChI=1S/C13H14FNO2S2/c1-16-13(17-2)11-7-19-12(15-11)8-18-10-5-3-4-9(14)6-10/h3-7,13H,8H2,1-2H3
InChIKeySPRLVCBZOGQNLE-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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Related Compounds

4-(Dimethoxymethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
CID 66053043
4-(Dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
CID 66054356
4-(Dimethoxymethyl)-2-(4-fluorophenyl)-1,3-thiazole
CID 66054366
4-(Dimethoxymethyl)-2-(3-fluorophenyl)-1,3-thiazole
CID 66055151
4-(Dimethoxymethyl)-2-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 66055159
4-(Dimethoxymethyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole
CID 66055748
2-(2,6-Difluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
CID 66055943
4-(Dimethoxymethyl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole
CID 66056145
2-[(3,5-Difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole
CID 66056538
2-[(2,4-Difluorophenyl)methyl]-4-(dimethoxymethyl)-1,3-thiazole
CID 66056731
4-(Dimethoxymethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 66057130
4-(Dimethoxymethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
CID 66057331

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole (CID 66070178) is 4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole is COC(OC)c1csc(CSc2cccc(F)c2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is SPRLVCBZOGQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S2/c1-16-13(17-2)11-7-19-12(15-11)8-18-10-5-3-4-9(14)6-10/h3-7,13H,8H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
4-(dimethoxymethyl)-2-[(3-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-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 66070178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).