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

C20H15N3OS — CID 794547

IUPAC(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc2nccc(Nc3ccccc3)c12
InChIInChI=1S/C20H15N3OS/c21-17-16-15(23-14-9-5-2-6-10-14)11-12-22-20(16)25-19(17)18(24)13-7-3-1-4-8-13/h1-12H,21H2,(H,22,23)
InChIKeyYHNZYJXWZXAPNF-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.85
Rot. Bonds4

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

(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone (PubChem CID 794547) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is (3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone
PubChem CID794547
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc2nccc(Nc3ccccc3)c12
InChIInChI=1S/C20H15N3OS/c21-17-16-15(23-14-9-5-2-6-10-14)11-12-22-20(16)25-19(17)18(24)13-7-3-1-4-8-13/h1-12H,21H2,(H,22,23)
InChIKeyYHNZYJXWZXAPNF-UHFFFAOYSA-N
XLogP4.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone (CID 794547) is (3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)sc2nccc(Nc3ccccc3)c12.
What is the InChIKey of (3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone?
The InChIKey is YHNZYJXWZXAPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c21-17-16-15(23-14-9-5-2-6-10-14)11-12-22-20(16)25-19(17)18(24)13-7-3-1-4-8-13/h1-12H,21H2,(H,22,23).
What are the key properties of (3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone?
(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone has a molecular weight of 345.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 794547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).