2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

C14H15FN4O2S — CID 46872072

IUPAC2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCOc1cncc(N2CCc3nc(NC(=O)CF)sc3C2)c1
InChIInChI=1S/C14H15FN4O2S/c1-21-10-4-9(6-16-7-10)19-3-2-11-12(8-19)22-14(17-11)18-13(20)5-15/h4,6-7H,2-3,5,8H2,1H3,(H,17,18,20)
InChIKeyHYWBSEBRYXFRKL-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.02
Rot. Bonds4

About 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide

2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 46872072) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
PubChem CID46872072
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
SMILESCOc1cncc(N2CCc3nc(NC(=O)CF)sc3C2)c1
InChIInChI=1S/C14H15FN4O2S/c1-21-10-4-9(6-16-7-10)19-3-2-11-12(8-19)22-14(17-11)18-13(20)5-15/h4,6-7H,2-3,5,8H2,1H3,(H,17,18,20)
InChIKeyHYWBSEBRYXFRKL-UHFFFAOYSA-N
XLogP2.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The IUPAC name of 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 46872072) is 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is COc1cncc(N2CCc3nc(NC(=O)CF)sc3C2)c1.
What is the InChIKey of 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
The InChIKey is HYWBSEBRYXFRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-21-10-4-9(6-16-7-10)19-3-2-11-12(8-19)22-14(17-11)18-13(20)5-15/h4,6-7H,2-3,5,8H2,1H3,(H,17,18,20).
What are the key properties of 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide?
2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 46872072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).