4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one

C11H12FN3OS — CID 114181244

IUPAC4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)c1cncc(F)c1
InChIInChI=1S/C11H12FN3OS/c1-7(8-2-9(12)4-13-3-8)14-5-10-6-17-11(16)15-10/h2-4,6-7,14H,5H2,1H3,(H,15,16)
InChIKeyDJMKZSHVRDWHOV-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.82
Rot. Bonds4

About 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181244) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181244
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)c1cncc(F)c1
InChIInChI=1S/C11H12FN3OS/c1-7(8-2-9(12)4-13-3-8)14-5-10-6-17-11(16)15-10/h2-4,6-7,14H,5H2,1H3,(H,15,16)
InChIKeyDJMKZSHVRDWHOV-UHFFFAOYSA-N
XLogP1.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 114181244) is 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one is CC(NCc1csc(=O)[nH]1)c1cncc(F)c1.
What is the InChIKey of 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DJMKZSHVRDWHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-7(8-2-9(12)4-13-3-8)14-5-10-6-17-11(16)15-10/h2-4,6-7,14H,5H2,1H3,(H,15,16).
What are the key properties of 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 253.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).