5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine

C9H9FN2S — CID 143724154

IUPAC5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine
SMILESC=C/C=C(\C(=C)F)c1cnc(N)s1
InChIInChI=1S/C9H9FN2S/c1-3-4-7(6(2)10)8-5-12-9(11)13-8/h3-5H,1-2H2,(H2,11,12)/b7-4+
InChIKeyUKTDJDUTBRGLLE-QPJJXVBHSA-N
MW196.25 g/mol
LogP2.78
Rot. Bonds3

About 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine

5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine (PubChem CID 143724154) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine
PubChem CID143724154
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC Name5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine
SMILESC=C/C=C(\C(=C)F)c1cnc(N)s1
InChIInChI=1S/C9H9FN2S/c1-3-4-7(6(2)10)8-5-12-9(11)13-8/h3-5H,1-2H2,(H2,11,12)/b7-4+
InChIKeyUKTDJDUTBRGLLE-QPJJXVBHSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine (CID 143724154) is 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine is C=C/C=C(\C(=C)F)c1cnc(N)s1.
What is the InChIKey of 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine?
The InChIKey is UKTDJDUTBRGLLE-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H9FN2S/c1-3-4-7(6(2)10)8-5-12-9(11)13-8/h3-5H,1-2H2,(H2,11,12)/b7-4+.
What are the key properties of 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine?
5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine has a molecular weight of 196.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 143724154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).