N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide

C16H14FN3O2S — CID 134217620

IUPACN-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide
SMILESCOC(c1ccc(F)cc1)c1c(NC=O)cnc2sc(C)nc12
InChIInChI=1S/C16H14FN3O2S/c1-9-20-14-13(12(19-8-21)7-18-16(14)23-9)15(22-2)10-3-5-11(17)6-4-10/h3-8,15H,1-2H3,(H,19,21)
InChIKeyXGDSAXARFAQZRR-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.44
Rot. Bonds5

About N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide

N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide (PubChem CID 134217620) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide.

Molecular Properties

Compound NameN-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide
PubChem CID134217620
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide
SMILESCOC(c1ccc(F)cc1)c1c(NC=O)cnc2sc(C)nc12
InChIInChI=1S/C16H14FN3O2S/c1-9-20-14-13(12(19-8-21)7-18-16(14)23-9)15(22-2)10-3-5-11(17)6-4-10/h3-8,15H,1-2H3,(H,19,21)
InChIKeyXGDSAXARFAQZRR-UHFFFAOYSA-N
XLogP3.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide?
The IUPAC name of N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide (CID 134217620) is N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide.
What is the SMILES notation for N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide?
The canonical SMILES for N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide is COC(c1ccc(F)cc1)c1c(NC=O)cnc2sc(C)nc12.
What is the InChIKey of N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide?
The InChIKey is XGDSAXARFAQZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-9-20-14-13(12(19-8-21)7-18-16(14)23-9)15(22-2)10-3-5-11(17)6-4-10/h3-8,15H,1-2H3,(H,19,21).
What are the key properties of N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide?
N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide has a molecular weight of 331.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(4-fluorophenyl)-methoxymethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]formamide is sourced from PubChem (CID 134217620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).