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

C15H12N2OS — CID 689408

IUPAC(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1ccc2c(N)c(C(=O)c3ccccc3)sc2n1
InChIInChI=1S/C15H12N2OS/c1-9-7-8-11-12(16)14(19-15(11)17-9)13(18)10-5-3-2-4-6-10/h2-8H,16H2,1H3
InChIKeyDKJAOMZMDRGQKB-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.42
Rot. Bonds2

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

(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone (PubChem CID 689408) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
PubChem CID689408
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESCc1ccc2c(N)c(C(=O)c3ccccc3)sc2n1
InChIInChI=1S/C15H12N2OS/c1-9-7-8-11-12(16)14(19-15(11)17-9)13(18)10-5-3-2-4-6-10/h2-8H,16H2,1H3
InChIKeyDKJAOMZMDRGQKB-UHFFFAOYSA-N
XLogP3.42
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.42
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]pyridin-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone (CID 689408) is (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone is Cc1ccc2c(N)c(C(=O)c3ccccc3)sc2n1.
What is the InChIKey of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The InChIKey is DKJAOMZMDRGQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-9-7-8-11-12(16)14(19-15(11)17-9)13(18)10-5-3-2-4-6-10/h2-8H,16H2,1H3.
What are the key properties of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone?
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-phenylmethanone has a molecular weight of 268.34 g/mol, XLogP of 3.42, 2 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]pyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 689408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).