3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline

C14H12FN3OS — CID 75485020

IUPAC3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline
SMILESCOc1cc(F)cc(NCc2nc3cccnc3s2)c1
InChIInChI=1S/C14H12FN3OS/c1-19-11-6-9(15)5-10(7-11)17-8-13-18-12-3-2-4-16-14(12)20-13/h2-7,17H,8H2,1H3
InChIKeyVDTJNXLGZXKIOT-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.45
Rot. Bonds4

About 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline

3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline (PubChem CID 75485020) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline
PubChem CID75485020
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline
SMILESCOc1cc(F)cc(NCc2nc3cccnc3s2)c1
InChIInChI=1S/C14H12FN3OS/c1-19-11-6-9(15)5-10(7-11)17-8-13-18-12-3-2-4-16-14(12)20-13/h2-7,17H,8H2,1H3
InChIKeyVDTJNXLGZXKIOT-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline?
The IUPAC name of 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline (CID 75485020) is 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline is COc1cc(F)cc(NCc2nc3cccnc3s2)c1.
What is the InChIKey of 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline?
The InChIKey is VDTJNXLGZXKIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-19-11-6-9(15)5-10(7-11)17-8-13-18-12-3-2-4-16-14(12)20-13/h2-7,17H,8H2,1H3.
What are the key properties of 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline?
3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline has a molecular weight of 289.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-N-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 75485020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).