(1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen

C17H20FN3O2S — CID 142490067

IUPAC(1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen
SMILESCc1cc([C@H]2[C@H]3O[C@H](C[C@H]3F)[C@@H]2C(=O)Nc2ncc(C)s2)ccn1.[H][H]
InChIInChI=1S/C17H18FN3O2S.H2/c1-8-5-10(3-4-19-8)13-14(12-6-11(18)15(13)23-12)16(22)21-17-20-7-9(2)24-17;/h3-5,7,11-15H,6H2,1-2H3,(H,20,21,22);1H/t11-,12-,13-,14+,15+;/m1./s1
InChIKeyVGQHLXSOOLILIT-WRYQTTHSSA-N
MW349.43 g/mol
LogP3.25
Rot. Bonds3

About (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen

(1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen (PubChem CID 142490067) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen
PubChem CID142490067
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name(1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen
SMILESCc1cc([C@H]2[C@H]3O[C@H](C[C@H]3F)[C@@H]2C(=O)Nc2ncc(C)s2)ccn1.[H][H]
InChIInChI=1S/C17H18FN3O2S.H2/c1-8-5-10(3-4-19-8)13-14(12-6-11(18)15(13)23-12)16(22)21-17-20-7-9(2)24-17;/h3-5,7,11-15H,6H2,1-2H3,(H,20,21,22);1H/t11-,12-,13-,14+,15+;/m1./s1
InChIKeyVGQHLXSOOLILIT-WRYQTTHSSA-N
XLogP3.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen?
The IUPAC name of (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen (CID 142490067) is (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen.
What is the SMILES notation for (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen?
The canonical SMILES for (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen is Cc1cc([C@H]2[C@H]3O[C@H](C[C@H]3F)[C@@H]2C(=O)Nc2ncc(C)s2)ccn1.[H][H].
What is the InChIKey of (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen?
The InChIKey is VGQHLXSOOLILIT-WRYQTTHSSA-N. The full InChI is InChI=1S/C17H18FN3O2S.H2/c1-8-5-10(3-4-19-8)13-14(12-6-11(18)15(13)23-12)16(22)21-17-20-7-9(2)24-17;/h3-5,7,11-15H,6H2,1-2H3,(H,20,21,22);1H/t11-,12-,13-,14+,15+;/m1./s1.
What are the key properties of (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen?
(1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen has a molecular weight of 349.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,5R)-5-fluoro-3-(2-methyl-4-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 142490067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).