(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone

C15H12ClN3OS — CID 155564640

IUPAC(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone
SMILESCc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl
InChIInChI=1S/C15H12ClN3OS/c1-7-10-12(17)14(13(20)9-4-3-5-18-6-9)21-15(10)19-8(2)11(7)16/h3-6H,17H2,1-2H3
InChIKeyZYYCQADEKMFTKC-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.77
Rot. Bonds2

About (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone

(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone (PubChem CID 155564640) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone
PubChem CID155564640
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone
SMILESCc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl
InChIInChI=1S/C15H12ClN3OS/c1-7-10-12(17)14(13(20)9-4-3-5-18-6-9)21-15(10)19-8(2)11(7)16/h3-6H,17H2,1-2H3
InChIKeyZYYCQADEKMFTKC-UHFFFAOYSA-N
XLogP3.77
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone (CID 155564640) is (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone is Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl.
What is the InChIKey of (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone?
The InChIKey is ZYYCQADEKMFTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-7-10-12(17)14(13(20)9-4-3-5-18-6-9)21-15(10)19-8(2)11(7)16/h3-6H,17H2,1-2H3.
What are the key properties of (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone?
(3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone has a molecular weight of 317.80 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 155564640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).