5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine

C12H8FN3OS — CID 23144562

IUPAC5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccco2)c(-c2ccnc(F)c2)s1
InChIInChI=1S/C12H8FN3OS/c13-9-6-7(3-4-15-9)11-10(16-12(14)18-11)8-2-1-5-17-8/h1-6H,(H2,14,16)
InChIKeyUTWMCGWTYPLLPA-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.19
Rot. Bonds2

About 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine

5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine (PubChem CID 23144562) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine
PubChem CID23144562
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC Name5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccco2)c(-c2ccnc(F)c2)s1
InChIInChI=1S/C12H8FN3OS/c13-9-6-7(3-4-15-9)11-10(16-12(14)18-11)8-2-1-5-17-8/h1-6H,(H2,14,16)
InChIKeyUTWMCGWTYPLLPA-UHFFFAOYSA-N
XLogP3.19
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine (CID 23144562) is 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2ccco2)c(-c2ccnc(F)c2)s1.
What is the InChIKey of 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is UTWMCGWTYPLLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c13-9-6-7(3-4-15-9)11-10(16-12(14)18-11)8-2-1-5-17-8/h1-6H,(H2,14,16).
What are the key properties of 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine?
5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 261.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-pyridinyl)-4-(furan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 23144562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).