(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C15H15F2N3O3S — CID 134363849

IUPAC(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCc1ncc(-c2cc(C(N)=O)nc3c2CC[C@@H](COC(F)F)O3)s1
InChIInChI=1S/C15H15F2N3O3S/c1-7-19-5-12(24-7)10-4-11(13(18)21)20-14-9(10)3-2-8(23-14)6-22-15(16)17/h4-5,8,15H,2-3,6H2,1H3,(H2,18,21)/t8-/m0/s1
InChIKeyYGJQQANQKRRDCJ-QMMMGPOBSA-N
MW355.37 g/mol
LogP2.55
Rot. Bonds5

About (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363849) has the molecular formula C15H15F2N3O3S and a molecular weight of 355.37 g/mol. Its IUPAC name is (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363849
Molecular FormulaC15H15F2N3O3S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCc1ncc(-c2cc(C(N)=O)nc3c2CC[C@@H](COC(F)F)O3)s1
InChIInChI=1S/C15H15F2N3O3S/c1-7-19-5-12(24-7)10-4-11(13(18)21)20-14-9(10)3-2-8(23-14)6-22-15(16)17/h4-5,8,15H,2-3,6H2,1H3,(H2,18,21)/t8-/m0/s1
InChIKeyYGJQQANQKRRDCJ-QMMMGPOBSA-N
XLogP2.55
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363849) is (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is Cc1ncc(-c2cc(C(N)=O)nc3c2CC[C@@H](COC(F)F)O3)s1.
What is the InChIKey of (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is YGJQQANQKRRDCJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H15F2N3O3S/c1-7-19-5-12(24-7)10-4-11(13(18)21)20-14-9(10)3-2-8(23-14)6-22-15(16)17/h4-5,8,15H,2-3,6H2,1H3,(H2,18,21)/t8-/m0/s1.
What are the key properties of (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).