N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide

C12H11N3O3S — CID 164738705

IUPACN-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide
SMILESCOc1ncc(C2=CCOC2)c2sc(NC=O)nc12
InChIInChI=1S/C12H11N3O3S/c1-17-11-9-10(19-12(15-9)14-6-16)8(4-13-11)7-2-3-18-5-7/h2,4,6H,3,5H2,1H3,(H,14,15,16)
InChIKeyHRFYQOVTNJIXEB-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.68
Rot. Bonds4

About N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide

N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide (PubChem CID 164738705) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide.

Molecular Properties

Compound NameN-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide
PubChem CID164738705
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC NameN-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide
SMILESCOc1ncc(C2=CCOC2)c2sc(NC=O)nc12
InChIInChI=1S/C12H11N3O3S/c1-17-11-9-10(19-12(15-9)14-6-16)8(4-13-11)7-2-3-18-5-7/h2,4,6H,3,5H2,1H3,(H,14,15,16)
InChIKeyHRFYQOVTNJIXEB-UHFFFAOYSA-N
XLogP1.68
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide?
The IUPAC name of N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide (CID 164738705) is N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide.
What is the SMILES notation for N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide?
The canonical SMILES for N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide is COc1ncc(C2=CCOC2)c2sc(NC=O)nc12.
What is the InChIKey of N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide?
The InChIKey is HRFYQOVTNJIXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-17-11-9-10(19-12(15-9)14-6-16)8(4-13-11)7-2-3-18-5-7/h2,4,6H,3,5H2,1H3,(H,14,15,16).
What are the key properties of N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide?
N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide has a molecular weight of 277.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2,5-dihydrofuran-3-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]formamide is sourced from PubChem (CID 164738705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).