[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate

C17H11N5O3S — CID 68731683

IUPAC[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
SMILESN#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1ccc2occc2c1
InChIInChI=1S/C17H11N5O3S/c18-6-9-11(8-1-2-10-7(5-8)3-4-24-10)12-13(19)16(25-17(21)23)26-15(12)22-14(9)20/h1-5H,19H2,(H2,20,22)(H2,21,23)
InChIKeySGAHORYOKKQHGU-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.20
Rot. Bonds2

About [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate

[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 68731683) has the molecular formula C17H11N5O3S and a molecular weight of 365.37 g/mol. Its IUPAC name is [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID68731683
Molecular FormulaC17H11N5O3S
Molecular Weight365.37 g/mol
Exact Mass365.06
IUPAC Name[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate
SMILESN#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1ccc2occc2c1
InChIInChI=1S/C17H11N5O3S/c18-6-9-11(8-1-2-10-7(5-8)3-4-24-10)12-13(19)16(25-17(21)23)26-15(12)22-14(9)20/h1-5H,19H2,(H2,20,22)(H2,21,23)
InChIKeySGAHORYOKKQHGU-UHFFFAOYSA-N
XLogP3.20
TPSA154.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate (CID 68731683) is [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate is N#Cc1c(N)nc2sc(OC(N)=O)c(N)c2c1-c1ccc2occc2c1.
What is the InChIKey of [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is SGAHORYOKKQHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O3S/c18-6-9-11(8-1-2-10-7(5-8)3-4-24-10)12-13(19)16(25-17(21)23)26-15(12)22-14(9)20/h1-5H,19H2,(H2,20,22)(H2,21,23).
What are the key properties of [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate?
[3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 365.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-diamino-4-(1-benzofuran-5-yl)-5-cyanothieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 68731683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).