2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one

C9H10N2OS — CID 176653424

IUPAC2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one
SMILESCc1cn(C)c(=O)c2cc(N)sc12
InChIInChI=1S/C9H10N2OS/c1-5-4-11(2)9(12)6-3-7(10)13-8(5)6/h3-4H,10H2,1-2H3
InChIKeyITJRHPCKFMUQGR-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.49
Rot. Bonds

About 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one

2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one (PubChem CID 176653424) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one
PubChem CID176653424
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one
SMILESCc1cn(C)c(=O)c2cc(N)sc12
InChIInChI=1S/C9H10N2OS/c1-5-4-11(2)9(12)6-3-7(10)13-8(5)6/h3-4H,10H2,1-2H3
InChIKeyITJRHPCKFMUQGR-UHFFFAOYSA-N
XLogP1.49
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one (CID 176653424) is 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one is Cc1cn(C)c(=O)c2cc(N)sc12.
What is the InChIKey of 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one?
The InChIKey is ITJRHPCKFMUQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-5-4-11(2)9(12)6-3-7(10)13-8(5)6/h3-4H,10H2,1-2H3.
What are the key properties of 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one?
2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one has a molecular weight of 194.26 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 176653424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).