methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C13H13FN2O2S — CID 67262561

IUPACmethyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)C)sc1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c1-16(2)13-15-10(12(17)18-3)11(19-13)8-4-6-9(14)7-5-8/h4-7H,1-3H3
InChIKeySFOYZODTKUKOQH-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.80
Rot. Bonds3

About methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 67262561) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID67262561
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Namemethyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(N(C)C)sc1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c1-16(2)13-15-10(12(17)18-3)11(19-13)8-4-6-9(14)7-5-8/h4-7H,1-3H3
InChIKeySFOYZODTKUKOQH-UHFFFAOYSA-N
XLogP2.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 67262561) is methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(N(C)C)sc1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is SFOYZODTKUKOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-16(2)13-15-10(12(17)18-3)11(19-13)8-4-6-9(14)7-5-8/h4-7H,1-3H3.
What are the key properties of methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 67262561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).