5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine

C9H9FN2S — CID 89224266

IUPAC5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine
SMILESNc1ncc(C2=CC=CC(F)C2)s1
InChIInChI=1S/C9H9FN2S/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-3,5,7H,4H2,(H2,11,12)
InChIKeyDACJIJUFLKGVNY-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.41
Rot. Bonds1

About 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine

5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine (PubChem CID 89224266) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine
PubChem CID89224266
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC Name5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine
SMILESNc1ncc(C2=CC=CC(F)C2)s1
InChIInChI=1S/C9H9FN2S/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-3,5,7H,4H2,(H2,11,12)
InChIKeyDACJIJUFLKGVNY-UHFFFAOYSA-N
XLogP2.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine (CID 89224266) is 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine is Nc1ncc(C2=CC=CC(F)C2)s1.
What is the InChIKey of 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine?
The InChIKey is DACJIJUFLKGVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-3,5,7H,4H2,(H2,11,12).
What are the key properties of 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine?
5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine has a molecular weight of 196.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89224266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).