(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone

C14H9BrN2OS — CID 16763566

IUPAC(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Br)cc2)sc2ncccc12
InChIInChI=1S/C14H9BrN2OS/c15-9-5-3-8(4-6-9)12(18)13-11(16)10-2-1-7-17-14(10)19-13/h1-7H,16H2
InChIKeyDESQMFRHMSLTRY-UHFFFAOYSA-N
MW333.21 g/mol
LogP3.87
Rot. Bonds2

About (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone

(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone (PubChem CID 16763566) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
PubChem CID16763566
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC Name(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Br)cc2)sc2ncccc12
InChIInChI=1S/C14H9BrN2OS/c15-9-5-3-8(4-6-9)12(18)13-11(16)10-2-1-7-17-14(10)19-13/h1-7H,16H2
InChIKeyDESQMFRHMSLTRY-UHFFFAOYSA-N
XLogP3.87
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The IUPAC name of (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone (CID 16763566) is (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone is Nc1c(C(=O)c2ccc(Br)cc2)sc2ncccc12.
What is the InChIKey of (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The InChIKey is DESQMFRHMSLTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c15-9-5-3-8(4-6-9)12(18)13-11(16)10-2-1-7-17-14(10)19-13/h1-7H,16H2.
What are the key properties of (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
(3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone has a molecular weight of 333.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 16763566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).