(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone

C21H16N2OS — CID 765624

IUPAC(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1
InChIInChI=1S/C21H16N2OS/c1-13-7-9-15(10-8-13)19(24)20-18(22)16-11-12-17(23-21(16)25-20)14-5-3-2-4-6-14/h2-12H,22H2,1H3
InChIKeyDCSPYNMVWABAPD-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.08
Rot. Bonds3

About (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone

(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone (PubChem CID 765624) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
PubChem CID765624
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1
InChIInChI=1S/C21H16N2OS/c1-13-7-9-15(10-8-13)19(24)20-18(22)16-11-12-17(23-21(16)25-20)14-5-3-2-4-6-14/h2-12H,22H2,1H3
InChIKeyDCSPYNMVWABAPD-UHFFFAOYSA-N
XLogP5.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone (CID 765624) is (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1.
What is the InChIKey of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone?
The InChIKey is DCSPYNMVWABAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-13-7-9-15(10-8-13)19(24)20-18(22)16-11-12-17(23-21(16)25-20)14-5-3-2-4-6-14/h2-12H,22H2,1H3.
What are the key properties of (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone?
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone has a molecular weight of 344.44 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 765624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).