(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

C16H14N2OS — CID 683024

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1
InChIInChI=1S/C16H14N2OS/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8H,17H2,1-2H3
InChIKeyJKFYVJIMIFVKOB-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.73
Rot. Bonds2

About (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone (PubChem CID 683024) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
PubChem CID683024
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1
InChIInChI=1S/C16H14N2OS/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8H,17H2,1-2H3
InChIKeyJKFYVJIMIFVKOB-UHFFFAOYSA-N
XLogP3.73
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone (CID 683024) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone is Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)sc2n1.
What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The InChIKey is JKFYVJIMIFVKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-9-8-10(2)18-16-12(9)13(17)15(20-16)14(19)11-6-4-3-5-7-11/h3-8H,17H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone has a molecular weight of 282.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 683024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).