[2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine

C10H11FN2S — CID 145277402

IUPAC[2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine
SMILESC=C(F)/C=C\C(=C)c1ncc(CN)s1
InChIInChI=1S/C10H11FN2S/c1-7(3-4-8(2)11)10-13-6-9(5-12)14-10/h3-4,6H,1-2,5,12H2/b4-3-
InChIKeyORMCGFXQGIUVDJ-ARJAWSKDSA-N
MW210.28 g/mol
LogP2.65
Rot. Bonds4

About [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine

[2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 145277402) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID145277402
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name[2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine
SMILESC=C(F)/C=C\C(=C)c1ncc(CN)s1
InChIInChI=1S/C10H11FN2S/c1-7(3-4-8(2)11)10-13-6-9(5-12)14-10/h3-4,6H,1-2,5,12H2/b4-3-
InChIKeyORMCGFXQGIUVDJ-ARJAWSKDSA-N
XLogP2.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.65
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 [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine (CID 145277402) is [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine is C=C(F)/C=C\C(=C)c1ncc(CN)s1.
What is the InChIKey of [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is ORMCGFXQGIUVDJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H11FN2S/c1-7(3-4-8(2)11)10-13-6-9(5-12)14-10/h3-4,6H,1-2,5,12H2/b4-3-.
What are the key properties of [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine?
[2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 210.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 145277402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).