3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile

C9H7N3S — CID 702313

IUPAC3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCc1ccc2c(N)c(C#N)sc2n1
InChIInChI=1S/C9H7N3S/c1-5-2-3-6-8(11)7(4-10)13-9(6)12-5/h2-3H,11H2,1H3
InChIKeyFRPUSNBCUUHWOT-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.06
Rot. Bonds

About 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 702313) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile
PubChem CID702313
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC Name3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile
SMILESCc1ccc2c(N)c(C#N)sc2n1
InChIInChI=1S/C9H7N3S/c1-5-2-3-6-8(11)7(4-10)13-9(6)12-5/h2-3H,11H2,1H3
InChIKeyFRPUSNBCUUHWOT-UHFFFAOYSA-N
XLogP2.06
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile (CID 702313) is 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile is Cc1ccc2c(N)c(C#N)sc2n1.
What is the InChIKey of 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is FRPUSNBCUUHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S/c1-5-2-3-6-8(11)7(4-10)13-9(6)12-5/h2-3H,11H2,1H3.
What are the key properties of 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 189.24 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methylthieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 702313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).