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

C11H12FNS — CID 143199630

IUPAC2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(C2C=CC(F)=CC2)sc1C
InChIInChI=1S/C11H12FNS/c1-7-8(2)14-11(13-7)9-3-5-10(12)6-4-9/h3,5-6,9H,4H2,1-2H3
InChIKeyFXGLNCRMLVBTNE-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.66
Rot. Bonds1

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

2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole (PubChem CID 143199630) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole
PubChem CID143199630
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(C2C=CC(F)=CC2)sc1C
InChIInChI=1S/C11H12FNS/c1-7-8(2)14-11(13-7)9-3-5-10(12)6-4-9/h3,5-6,9H,4H2,1-2H3
InChIKeyFXGLNCRMLVBTNE-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole (CID 143199630) is 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole is Cc1nc(C2C=CC(F)=CC2)sc1C.
What is the InChIKey of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is FXGLNCRMLVBTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-7-8(2)14-11(13-7)9-3-5-10(12)6-4-9/h3,5-6,9H,4H2,1-2H3.
What are the key properties of 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole?
2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 209.29 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 143199630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).