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

C10H10FNS — CID 70299629

IUPAC5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NCC(c2cccc(F)c2)S1
InChIInChI=1S/C10H10FNS/c1-7-12-6-10(13-7)8-3-2-4-9(11)5-8/h2-5,10H,6H2,1H3
InChIKeyXQQLZZSXXOOGPZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.03
Rot. Bonds1

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

5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 70299629) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole
PubChem CID70299629
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NCC(c2cccc(F)c2)S1
InChIInChI=1S/C10H10FNS/c1-7-12-6-10(13-7)8-3-2-4-9(11)5-8/h2-5,10H,6H2,1H3
InChIKeyXQQLZZSXXOOGPZ-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole (CID 70299629) is 5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole is CC1=NCC(c2cccc(F)c2)S1.
What is the InChIKey of 5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is XQQLZZSXXOOGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-7-12-6-10(13-7)8-3-2-4-9(11)5-8/h2-5,10H,6H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole?
5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 195.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70299629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).