5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole

C11H12FNS — CID 142201079

IUPAC5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C2=CC(F)=CCC2)s1
InChIInChI=1S/C11H12FNS/c1-7-11(14-8(2)13-7)9-4-3-5-10(12)6-9/h5-6H,3-4H2,1-2H3
InChIKeyVAUVSPABYIYICE-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.79
Rot. Bonds1

About 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole

5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole (PubChem CID 142201079) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
PubChem CID142201079
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(C2=CC(F)=CCC2)s1
InChIInChI=1S/C11H12FNS/c1-7-11(14-8(2)13-7)9-4-3-5-10(12)6-9/h5-6H,3-4H2,1-2H3
InChIKeyVAUVSPABYIYICE-UHFFFAOYSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole (CID 142201079) is 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(C2=CC(F)=CCC2)s1.
What is the InChIKey of 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is VAUVSPABYIYICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-7-11(14-8(2)13-7)9-4-3-5-10(12)6-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole?
5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 209.29 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 142201079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).