(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone

C18H18N2O3S — CID 683066

IUPAC(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-9-7-10(2)20-18-14(9)15(19)17(24-18)16(21)11-5-6-12(22-3)13(8-11)23-4/h5-8H,19H2,1-4H3
InChIKeyBMAZWWPDYCPMNJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.74
Rot. Bonds4

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

(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 683066) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
PubChem CID683066
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-9-7-10(2)20-18-14(9)15(19)17(24-18)16(21)11-5-6-12(22-3)13(8-11)23-4/h5-8H,19H2,1-4H3
InChIKeyBMAZWWPDYCPMNJ-UHFFFAOYSA-N
XLogP3.74
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone (CID 683066) is (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1OC.
What is the InChIKey of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is BMAZWWPDYCPMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-9-7-10(2)20-18-14(9)15(19)17(24-18)16(21)11-5-6-12(22-3)13(8-11)23-4/h5-8H,19H2,1-4H3.
What are the key properties of (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 342.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 683066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).