4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine

C11H10FN3S — CID 169049329

IUPAC4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=C/c2csc(N)n2)nc1F
InChIInChI=1S/C11H10FN3S/c1-7-2-3-8(14-10(7)12)4-5-9-6-16-11(13)15-9/h2-6H,1H3,(H2,13,15)/b5-4+
InChIKeyMHXLGSQJFRBXQN-SNAWJCMRSA-N
MW235.29 g/mol
LogP2.74
Rot. Bonds2

About 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine

4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 169049329) has the molecular formula C11H10FN3S and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine
PubChem CID169049329
Molecular FormulaC11H10FN3S
Molecular Weight235.29 g/mol
Exact Mass235.06
IUPAC Name4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(/C=C/c2csc(N)n2)nc1F
InChIInChI=1S/C11H10FN3S/c1-7-2-3-8(14-10(7)12)4-5-9-6-16-11(13)15-9/h2-6H,1H3,(H2,13,15)/b5-4+
InChIKeyMHXLGSQJFRBXQN-SNAWJCMRSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine (CID 169049329) is 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine is Cc1ccc(/C=C/c2csc(N)n2)nc1F.
What is the InChIKey of 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is MHXLGSQJFRBXQN-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H10FN3S/c1-7-2-3-8(14-10(7)12)4-5-9-6-16-11(13)15-9/h2-6H,1H3,(H2,13,15)/b5-4+.
What are the key properties of 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine?
4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 235.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(6-fluoro-5-methyl-2-pyridinyl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 169049329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).