3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine

C14H16FN3O2S — CID 91760142

IUPAC3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine
SMILESFc1cnccc1N[C@@H]1CCOC[C@H]1OCc1cscn1
InChIInChI=1S/C14H16FN3O2S/c15-11-5-16-3-1-12(11)18-13-2-4-19-7-14(13)20-6-10-8-21-9-17-10/h1,3,5,8-9,13-14H,2,4,6-7H2,(H,16,18)/t13-,14-/m1/s1
InChIKeyRZUQCKVYWZQTBJ-ZIAGYGMSSA-N
MW309.37 g/mol
LogP2.46
Rot. Bonds5

About 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine

3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine (PubChem CID 91760142) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine
PubChem CID91760142
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine
SMILESFc1cnccc1N[C@@H]1CCOC[C@H]1OCc1cscn1
InChIInChI=1S/C14H16FN3O2S/c15-11-5-16-3-1-12(11)18-13-2-4-19-7-14(13)20-6-10-8-21-9-17-10/h1,3,5,8-9,13-14H,2,4,6-7H2,(H,16,18)/t13-,14-/m1/s1
InChIKeyRZUQCKVYWZQTBJ-ZIAGYGMSSA-N
XLogP2.46
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine?
The IUPAC name of 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine (CID 91760142) is 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine?
The canonical SMILES for 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine is Fc1cnccc1N[C@@H]1CCOC[C@H]1OCc1cscn1.
What is the InChIKey of 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine?
The InChIKey is RZUQCKVYWZQTBJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-11-5-16-3-1-12(11)18-13-2-4-19-7-14(13)20-6-10-8-21-9-17-10/h1,3,5,8-9,13-14H,2,4,6-7H2,(H,16,18)/t13-,14-/m1/s1.
What are the key properties of 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine?
3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridin-4-amine is sourced from PubChem (CID 91760142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).