5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole

C12H14FNS — CID 70833781

IUPAC5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(C)C(c2ccc(C)c(F)c2)S1
InChIInChI=1S/C12H14FNS/c1-7-4-5-10(6-11(7)13)12-8(2)14-9(3)15-12/h4-6,8,12H,1-3H3
InChIKeyWNOQQMSVMZMAAX-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.73
Rot. Bonds1

About 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole

5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 70833781) has the molecular formula C12H14FNS and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID70833781
Molecular FormulaC12H14FNS
Molecular Weight223.32 g/mol
Exact Mass223.08
IUPAC Name5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(C)C(c2ccc(C)c(F)c2)S1
InChIInChI=1S/C12H14FNS/c1-7-4-5-10(6-11(7)13)12-8(2)14-9(3)15-12/h4-6,8,12H,1-3H3
InChIKeyWNOQQMSVMZMAAX-UHFFFAOYSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole (CID 70833781) is 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole is CC1=NC(C)C(c2ccc(C)c(F)c2)S1.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is WNOQQMSVMZMAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS/c1-7-4-5-10(6-11(7)13)12-8(2)14-9(3)15-12/h4-6,8,12H,1-3H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole?
5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 223.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 70833781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).