[3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate

C15H12FN3O2S — CID 23109671

IUPAC[3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCc1cc(-c2ccc(F)cc2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C15H12FN3O2S/c1-7-6-10(8-2-4-9(16)5-3-8)19-13-11(7)12(17)14(22-13)21-15(18)20/h2-6H,17H2,1H3,(H2,18,20)
InChIKeySHCHCJSATBJFHZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.45
Rot. Bonds2

About [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate

[3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 23109671) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID23109671
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name[3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCc1cc(-c2ccc(F)cc2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C15H12FN3O2S/c1-7-6-10(8-2-4-9(16)5-3-8)19-13-11(7)12(17)14(22-13)21-15(18)20/h2-6H,17H2,1H3,(H2,18,20)
InChIKeySHCHCJSATBJFHZ-UHFFFAOYSA-N
XLogP3.45
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate (CID 23109671) is [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate is Cc1cc(-c2ccc(F)cc2)nc2sc(OC(N)=O)c(N)c12.
What is the InChIKey of [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is SHCHCJSATBJFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-7-6-10(8-2-4-9(16)5-3-8)19-13-11(7)12(17)14(22-13)21-15(18)20/h2-6H,17H2,1H3,(H2,18,20).
What are the key properties of [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 317.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 23109671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).